NMPC 485-7,11-Hexadecadien-1-ol, acetate, (7Z,11Z)- (76970307)
 OpenBabel01112401503D

104102  0  0  0  0  0  0  0  0999 V2000
    1.0636    0.0705    0.0312 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636    0.0705    0.0312 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -0.9360   -0.4141 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -0.9360   -0.4141 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5825    2.9069    1.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5825    2.9069    1.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.6759    2.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.6759    2.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8225    4.1107    1.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8225    4.1107    1.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7208    1.4219    1.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7208    1.4219    1.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    4.3375    3.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    4.3375    3.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3536    1.1951    0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3536    1.1951    0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841    4.5915    3.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841    4.5915    3.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375    5.7644    3.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375    5.7644    3.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1498    6.8209    4.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1498    6.8209    4.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3651    7.0967    5.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3651    7.0967    5.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4869   10.0064    7.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9150    9.1742    6.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   10.0370    8.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1813   10.4346    5.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836    7.5962    6.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836    7.5962    6.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    8.8251    6.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    8.8251    6.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2837   10.8468    9.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6446   11.7865    5.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4836    0.0705    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4836    0.0705    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2492   12.3350    9.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2145   12.3041    7.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2436    1.2743    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2436    1.2743    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    3.0857    1.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240    2.7473    0.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    3.0857    1.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240    2.7473    0.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4737    1.8355    3.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7502    0.8285    1.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4737    1.8355    3.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7502    0.8285    1.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0809    4.9773    1.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7705    3.9319    1.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0809    4.9773    1.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7705    3.9319    1.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1858    2.2693    2.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4624    0.5553    2.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1858    2.2693    2.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4624    0.5553    2.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547    5.1849    3.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312    3.4709    3.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547    5.1849    3.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312    3.4709    3.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121    2.0617   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6983    1.0163    0.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121    2.0617   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6983    1.0163    0.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3794    3.8477    3.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3794    3.8477    3.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1895    5.9432    3.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014    7.7221    3.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1512    6.4693    4.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1895    5.9432    3.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014    7.7221    3.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1512    6.4693    4.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6698    7.8405    6.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135    6.1956    6.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6698    7.8405    6.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135    6.1956    6.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7551   10.9903    6.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5702    9.7245    6.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4767    9.2084    7.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3032    8.2963    5.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650   10.4528    8.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411    9.0076    9.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2767   10.5260    5.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7993   10.2498    4.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6159    6.9812    5.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6159    6.9812    5.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7629    9.9920    7.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2783    8.5026    8.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0717   10.7174   10.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2965   10.4647    9.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8869   12.5303    4.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5563   11.7535    5.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   12.7659    9.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0239   12.8595    9.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4289   12.5367    8.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2935   12.4712    6.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7472   13.2607    7.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0352   11.6211    7.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    2.1409   -0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    1.4339    1.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956    1.0955    0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    2.1409   -0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    1.4339    1.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956    1.0955    0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 35  1  0  0  0  0
  2 16  1  0  0  0  0
  2 36  1  0  0  0  0
  3 35  2  0  0  0  0
  4 36  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7 11  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8 12  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 13  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 14  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 15  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 16  1  0  0  0  0
 12 55  1  0  0  0  0
 12 56  1  0  0  0  0
 13 17  1  0  0  0  0
 13 57  1  0  0  0  0
 13 58  1  0  0  0  0
 14 18  1  0  0  0  0
 14 59  1  0  0  0  0
 14 60  1  0  0  0  0
 15 61  1  0  0  0  0
 15 62  1  0  0  0  0
 16 63  1  0  0  0  0
 16 64  1  0  0  0  0
 17 19  2  0  0  0  0
 17 65  1  0  0  0  0
 18 20  2  0  0  0  0
 18 66  1  0  0  0  0
 19 21  1  0  0  0  0
 19 67  1  0  0  0  0
 20 22  1  0  0  0  0
 20 70  1  0  0  0  0
 21 23  1  0  0  0  0
 21 68  1  0  0  0  0
 21 69  1  0  0  0  0
 22 24  1  0  0  0  0
 22 71  1  0  0  0  0
 22 72  1  0  0  0  0
 23 29  1  0  0  0  0
 23 73  1  0  0  0  0
 23 74  1  0  0  0  0
 24 30  1  0  0  0  0
 24 75  1  0  0  0  0
 24 76  1  0  0  0  0
 25 27  1  0  0  0  0
 25 31  1  0  0  0  0
 25 77  1  0  0  0  0
 25 78  1  0  0  0  0
 26 28  1  0  0  0  0
 26 32  1  0  0  0  0
 26 79  1  0  0  0  0
 26 80  1  0  0  0  0
 27 33  1  0  0  0  0
 27 81  1  0  0  0  0
 27 82  1  0  0  0  0
 28 34  1  0  0  0  0
 28 83  1  0  0  0  0
 28 84  1  0  0  0  0
 29 31  2  0  0  0  0
 29 85  1  0  0  0  0
 30 32  2  0  0  0  0
 30 86  1  0  0  0  0
 31 87  1  0  0  0  0
 32 88  1  0  0  0  0
 33 37  1  0  0  0  0
 33 89  1  0  0  0  0
 33 90  1  0  0  0  0
 34 38  1  0  0  0  0
 34 91  1  0  0  0  0
 34 92  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 93  1  0  0  0  0
 37 94  1  0  0  0  0
 37 95  1  0  0  0  0
 38 96  1  0  0  0  0
 38 97  1  0  0  0  0
 38 98  1  0  0  0  0
 39 99  1  0  0  0  0
 39100  1  0  0  0  0
 39101  1  0  0  0  0
 40102  1  0  0  0  0
 40103  1  0  0  0  0
 40104  1  0  0  0  0
M  END
>  <MOL Chiral Flag>
0

>  <PUBCHEM_COMPOUND_CID>
76970307

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
267

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
28

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICCAAABACIACDSCAAAAAAgAAAICAAAAAgAAAIAAQACAAAEgAAIAAOAwCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
[(7Z,11Z)-hexadeca-7,11-dienyl] acetate;[(7Z,11E)-hexadeca-7,11-dienyl] acetate

>  <PUBCHEM_IUPAC_CAS_NAME>
acetic acid [(7Z,11Z)-hexadeca-7,11-dienyl] ester;acetic acid [(7Z,11E)-hexadeca-7,11-dienyl] ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
[(7<I>Z</I>,11<I>Z</I>)-hexadeca-7,11-dienyl] acetate;[(7<I>Z</I>,11<I>E</I>)-hexadeca-7,11-dienyl] acetate

>  <PUBCHEM_IUPAC_NAME>
[(7Z,11Z)-hexadeca-7,11-dienyl] acetate;[(7Z,11E)-hexadeca-7,11-dienyl] acetate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(7Z,11Z)-hexadeca-7,11-dienyl] ethanoate;[(7Z,11E)-hexadeca-7,11-dienyl] ethanoate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetic acid [(7Z,11Z)-hexadeca-7,11-dienyl] ester;acetic acid [(7Z,11E)-hexadeca-7,11-dienyl] ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C18H32O2/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h2*6-7,10-11H,3-5,8-9,12-17H2,1-2H3/b7-6+,11-10-;7-6-,11-10-

>  <PUBCHEM_IUPAC_INCHIKEY>
FAWDISLMBWXNGG-BVNMUOCFSA-N

>  <PUBCHEM_EXACT_MASS>
560.48046052

>  <PUBCHEM_MOLECULAR_FORMULA>
C36H64O4

>  <PUBCHEM_MOLECULAR_WEIGHT>
560.9

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCC=CCCC=CCCCCCCOC(=O)C.CCCCC=CCCC=CCCCCCCOC(=O)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC/C=C/CC/C=C\CCCCCCOC(=O)C.CCCC/C=C\CC/C=C\CCCCCCOC(=O)C

>  <PUBCHEM_CACTVS_TPSA>
52.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
560.48046052

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
40

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
