NMPC 535-9-Octadecenoic acid1,2,3-propanetrieyl ester (5364673)
 OpenBabel01112402183D

167166  0  0  0  0  0  0  0  0999 V2000
    1.7515   -1.0199   -2.1379 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6800    2.1159   -0.4674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678   -0.5565    1.2574 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6332   -1.7600   -4.2552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8777    2.0675   -2.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2035   -0.8334    2.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703   -3.8528    0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2285   -5.0173    1.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    3.4952    2.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6158   -3.2828    2.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516   -4.1280   -0.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9826    4.7131    3.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8719   -4.4158    3.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0066   -4.1468    7.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8180   -3.5260    9.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -5.0483    2.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7319    6.0249   10.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8418   -9.4036    6.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    6.7028    9.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9886   -8.3521    7.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2689    2.5734    1.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134   -1.7343    2.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0131    4.3691    4.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2850   -4.7414    3.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2689   -3.0480    6.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1545   -3.1550    9.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3091    6.8701   11.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5378  -10.8350    7.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2470    6.9561    8.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4758   -8.4749    7.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3816   -4.0245   -2.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0157    3.1618    0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830   -0.6631    3.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394   -3.9755    3.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631    3.5317    5.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8524   -5.9670    3.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0064   -2.3756    6.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0198   -4.3623   10.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431    8.1793   12.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9239  -11.1162    8.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222    5.7037    8.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0842   -8.7241    5.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0399   -2.6145   -2.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1026    3.6692   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650   -0.5306    3.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3521   -3.3750    4.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -3.2161    5.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3072   -5.3803   11.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987    8.0026   13.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4018  -10.8763    9.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3476    4.2680    6.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2100   -7.2005    3.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212    4.6896    7.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7268   -7.7218    5.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0645   -0.2753   -1.0916 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4907    1.2035   -1.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799   -0.7645    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1392   -1.7209   -3.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4452    2.5342   -1.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116   -0.7042    2.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7091   -4.7418   12.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0119    7.1864   14.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3302  -11.7324    8.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1631   -2.9439    0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0489   -3.6575   -0.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -5.1992    1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0516   -5.9368    0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2130    2.9187    3.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4933    3.8230    2.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3169   -3.5231    1.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6401   -3.5060    2.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759   -5.1298   -0.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8075   -3.4563   -0.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2096    5.3716    3.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4740    5.3023    2.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4546   -5.3294    3.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -4.3624    4.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8368   -4.8616    7.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269   -4.7317    7.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2480   -4.2153    9.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2023   -2.6221    9.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1813   -5.9606    3.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693   -5.2504    2.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5605    5.7722   11.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2824    5.0609   10.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9004   -9.1648    7.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7019   -9.3431    5.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7707    7.6538    9.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1063    6.0835    9.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1682   -8.3852    8.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3318   -7.3548    7.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0187    2.2122    2.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7050    1.7032    1.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5326   -1.3691    2.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3003   -1.5345    1.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4198    5.3112    4.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643    3.8415    3.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2383   -5.0233    5.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9283   -3.8630    3.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9255   -2.2735    7.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8767   -3.4325    6.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9488   -2.5573   10.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7427   -2.5004    9.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450    6.2682   12.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1449    7.1042   10.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0614  -11.5280    6.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4723  -11.0585    7.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4686    7.7133    8.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565    7.3965    7.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690   -9.2868    8.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9913   -7.5563    7.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4737   -4.7080   -2.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416   -4.4026   -3.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6665    3.9756    1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6824    2.3860    0.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0827   -0.3579    4.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480    0.1806    2.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4743   -4.4072    4.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330   -3.1348    3.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2846    3.3422    6.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170    2.5494    5.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9352   -5.9867    3.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6837   -5.9205    2.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -1.5646    6.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3855   -1.8755    5.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9168   -3.9977   10.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3830   -4.8695    9.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5753    8.7143   12.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5741    8.8316   11.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6715  -12.1568    9.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3129  -10.5027    9.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0869    5.2643    8.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2666    6.0075    7.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3804   -9.7345    5.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9915   -8.6763    5.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7523   -2.1461   -2.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6060   -2.7434   -3.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3399    4.3635    0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943    4.2403   -1.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2439   -1.1102    4.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.5014    3.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9803   -2.8150    3.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1852   -3.6307    6.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0248   -6.1528   11.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207   -5.8947   10.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7337    8.9935   13.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2598    7.5383   12.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5749  -11.1006   10.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6572   -9.8187    9.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5087    4.5600    5.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2560   -7.5458    3.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612    4.3737    8.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6726   -7.2998    5.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236   -0.3741   -1.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5130    1.3325   -0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5446    1.5195   -2.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251   -1.8213    0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276   -0.2782    0.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4683   -4.1727   12.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3022   -5.5080   13.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8893   -4.0601   12.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    7.6504   14.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8555    7.1226   15.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7289    6.1638   14.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0975  -12.7946    8.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3702  -11.5698    8.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2513  -11.4865    7.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 58  1  0  0  0  0
  2 56  1  0  0  0  0
  2 59  1  0  0  0  0
  3 57  1  0  0  0  0
  3 60  1  0  0  0  0
  4 58  2  0  0  0  0
  5 59  2  0  0  0  0
  6 60  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 64  1  0  0  0  0
  7 65  1  0  0  0  0
  8 16  1  0  0  0  0
  8 66  1  0  0  0  0
  8 67  1  0  0  0  0
  9 12  1  0  0  0  0
  9 21  1  0  0  0  0
  9 68  1  0  0  0  0
  9 69  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 10 70  1  0  0  0  0
 10 71  1  0  0  0  0
 11 31  1  0  0  0  0
 11 72  1  0  0  0  0
 11 73  1  0  0  0  0
 12 23  1  0  0  0  0
 12 74  1  0  0  0  0
 12 75  1  0  0  0  0
 13 24  1  0  0  0  0
 13 76  1  0  0  0  0
 13 77  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 14 78  1  0  0  0  0
 14 79  1  0  0  0  0
 15 26  1  0  0  0  0
 15 80  1  0  0  0  0
 15 81  1  0  0  0  0
 16 34  1  0  0  0  0
 16 82  1  0  0  0  0
 16 83  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 17 84  1  0  0  0  0
 17 85  1  0  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 18 86  1  0  0  0  0
 18 87  1  0  0  0  0
 19 29  1  0  0  0  0
 19 88  1  0  0  0  0
 19 89  1  0  0  0  0
 20 30  1  0  0  0  0
 20 90  1  0  0  0  0
 20 91  1  0  0  0  0
 21 32  1  0  0  0  0
 21 92  1  0  0  0  0
 21 93  1  0  0  0  0
 22 33  1  0  0  0  0
 22 94  1  0  0  0  0
 22 95  1  0  0  0  0
 23 35  1  0  0  0  0
 23 96  1  0  0  0  0
 23 97  1  0  0  0  0
 24 36  1  0  0  0  0
 24 98  1  0  0  0  0
 24 99  1  0  0  0  0
 25 37  1  0  0  0  0
 25100  1  0  0  0  0
 25101  1  0  0  0  0
 26 38  1  0  0  0  0
 26102  1  0  0  0  0
 26103  1  0  0  0  0
 27 39  1  0  0  0  0
 27104  1  0  0  0  0
 27105  1  0  0  0  0
 28 40  1  0  0  0  0
 28106  1  0  0  0  0
 28107  1  0  0  0  0
 29 41  1  0  0  0  0
 29108  1  0  0  0  0
 29109  1  0  0  0  0
 30 42  1  0  0  0  0
 30110  1  0  0  0  0
 30111  1  0  0  0  0
 31 43  1  0  0  0  0
 31112  1  0  0  0  0
 31113  1  0  0  0  0
 32 44  1  0  0  0  0
 32114  1  0  0  0  0
 32115  1  0  0  0  0
 33 45  1  0  0  0  0
 33116  1  0  0  0  0
 33117  1  0  0  0  0
 34 46  1  0  0  0  0
 34118  1  0  0  0  0
 34119  1  0  0  0  0
 35 51  1  0  0  0  0
 35120  1  0  0  0  0
 35121  1  0  0  0  0
 36 52  1  0  0  0  0
 36122  1  0  0  0  0
 36123  1  0  0  0  0
 37 47  1  0  0  0  0
 37124  1  0  0  0  0
 37125  1  0  0  0  0
 38 48  1  0  0  0  0
 38126  1  0  0  0  0
 38127  1  0  0  0  0
 39 49  1  0  0  0  0
 39128  1  0  0  0  0
 39129  1  0  0  0  0
 40 50  1  0  0  0  0
 40130  1  0  0  0  0
 40131  1  0  0  0  0
 41 53  1  0  0  0  0
 41132  1  0  0  0  0
 41133  1  0  0  0  0
 42 54  1  0  0  0  0
 42134  1  0  0  0  0
 42135  1  0  0  0  0
 43 58  1  0  0  0  0
 43136  1  0  0  0  0
 43137  1  0  0  0  0
 44 59  1  0  0  0  0
 44138  1  0  0  0  0
 44139  1  0  0  0  0
 45 60  1  0  0  0  0
 45140  1  0  0  0  0
 45141  1  0  0  0  0
 46 47  2  0  0  0  0
 46142  1  0  0  0  0
 47143  1  0  0  0  0
 48 61  1  0  0  0  0
 48144  1  0  0  0  0
 48145  1  0  0  0  0
 49 62  1  0  0  0  0
 49146  1  0  0  0  0
 49147  1  0  0  0  0
 50 63  1  0  0  0  0
 50148  1  0  0  0  0
 50149  1  0  0  0  0
 51 53  2  0  0  0  0
 51150  1  0  0  0  0
 52 54  2  0  0  0  0
 52151  1  0  0  0  0
 53152  1  0  0  0  0
 54153  1  0  0  0  0
 55 57  1  0  0  0  0
 55154  1  6  0  0  0
 55 56  1  0  0  0  0
 55  1  1  0  0  0  0
 56155  1  0  0  0  0
 56156  1  0  0  0  0
 57157  1  0  0  0  0
 57158  1  0  0  0  0
 61159  1  0  0  0  0
 61160  1  0  0  0  0
 61161  1  0  0  0  0
 62162  1  0  0  0  0
 62163  1  0  0  0  0
 62164  1  0  0  0  0
 63165  1  0  0  0  0
 63166  1  0  0  0  0
 63167  1  0  0  0  0
M  END
>  <MOL Chiral Flag>
0

>  <PUBCHEM_COMPOUND_CID>
5364673

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
1010

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
53

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABACIACDSCAAAAAAgAAAICAEAAAgBABIAAQACAAAFgAAKAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl (E)-octadec-9-enoate

>  <PUBCHEM_IUPAC_CAS_NAME>
(E)-9-octadecenoic acid 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,3-bis[[(<I>E</I>)-octadec-9-enoyl]oxy]propyl (<I>E</I>)-octadec-9-enoate

>  <PUBCHEM_IUPAC_NAME>
2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl (E)-octadec-9-enoate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl (E)-octadec-9-enoate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-octadec-9-enoic acid 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+

>  <PUBCHEM_IUPAC_INCHIKEY>
PHYFQTYBJUILEZ-WUOFIQDXSA-N

>  <PUBCHEM_XLOGP3_AA>
22.4

>  <PUBCHEM_EXACT_MASS>
884.78329103

>  <PUBCHEM_MOLECULAR_FORMULA>
C57H104O6

>  <PUBCHEM_MOLECULAR_WEIGHT>
885.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC

>  <PUBCHEM_CACTVS_TPSA>
78.9

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
884.78329103

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
63

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
3

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
55  1  5

$$$$
