NMPC 1119-Hexadecanoic acid, trimethylsilyl ester (521638)
 OpenBabel01112405493D

 62 61  0  0  0  0  0  0  0  0999 V2000
    0.9313    0.1293   -0.2372 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.4173   -1.4279   -0.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6230   -1.7730   -2.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8387   -5.6081    3.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3702   -5.6076    3.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787   -6.2043    2.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9598   -7.0209    3.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6935   -5.4129    1.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5286   -7.8841    4.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2361   -3.9532    1.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9709   -7.3064    6.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2883   -3.8215    1.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4932   -7.2166    6.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708   -4.2852   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1947   -8.5777    6.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4599   -3.6148   -1.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7347   -9.5587    7.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9062   -2.1831   -1.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9914   -9.0391    8.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2419    0.7203    1.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3443    1.2946   -1.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8070    0.1751   -0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4328   -6.1610    4.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4768   -4.5847    3.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7096   -5.0781    4.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7740   -5.0240    2.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5988   -7.2451    2.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1877   -6.2578    2.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0514   -6.9520    3.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6709   -7.5247    2.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7816   -5.4424    0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2924   -5.9086    0.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9225   -8.8971    4.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4399   -8.0072    4.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6554   -3.4478    1.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6619   -3.4107    0.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5450   -7.9130    6.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414   -6.3091    6.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7088   -4.3860    1.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5521   -2.7863    1.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7314   -6.7082    7.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9113   -6.5730    5.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8451   -5.3701   -0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0493   -4.1137   -0.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2756   -8.4197    6.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0435   -9.0380    5.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6257   -3.6707   -1.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8812   -4.1508   -2.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2687  -10.5059    7.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6702   -9.7916    7.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0534   -8.8164    8.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6964   -9.7875    9.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4190   -8.1297    8.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5648    1.7468    1.6184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8512    0.6951    1.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6019    0.0845    2.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7026    2.3116   -1.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7028    0.9689   -2.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7494    1.3149   -1.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1297   -0.4412    0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -0.2121   -0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586    1.1969    0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 17  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 18  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 19  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
M  END
>  <MOL Chiral Flag>
0

>  <PUBCHEM_COMPOUND_CID>
521638

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
259

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGhAAAEAACACAgABCCAAAAAEIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
trimethylsilyl hexadecanoate

>  <PUBCHEM_IUPAC_CAS_NAME>
hexadecanoic acid trimethylsilyl ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
trimethylsilyl hexadecanoate

>  <PUBCHEM_IUPAC_NAME>
trimethylsilyl hexadecanoate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
trimethylsilyl hexadecanoate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
palmitic acid trimethylsilyl ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h5-18H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
HKNNSWCACQFVIK-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
328.27975705

>  <PUBCHEM_MOLECULAR_FORMULA>
C19H40O2Si

>  <PUBCHEM_MOLECULAR_WEIGHT>
328.6

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C

>  <PUBCHEM_CACTVS_TPSA>
26.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
328.27975705

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
22

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <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

$$$$
