NMPC 1344-Octadecane, 1-(ethenyloxy)- (vinyl stearyl ether)   (1-(ethenyloxy) Octadecane) (13585)
 OpenBabel01112406383D

 61 60  0  0  0  0  0  0  0  0999 V2000
    0.8180   -0.1107   -0.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2455    1.8620    7.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246    0.9064    8.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.5080    6.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1248    0.9361    8.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5976    0.0954    5.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5921    2.3082    9.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944   -0.0843    5.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9010    2.7329   10.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5741    0.8728    4.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569    1.7588   11.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3026    0.7195    3.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6372    1.6556   12.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0713   -0.6481    2.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297    2.9742   12.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6424   -0.8428    1.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5225    3.5369   14.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2081    0.1597    0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5837    2.5868   15.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0783    0.3871   -0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9364   -0.1497   -1.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4852    2.8961    7.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1573    1.8532    7.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0374    1.1564    9.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -0.1189    8.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0312    1.5960    6.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6796    2.2525    5.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3525    0.1603    9.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7104    0.6542    8.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9199   -0.6533    6.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1843   -0.1339    4.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6790    2.2902    9.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4171    3.0726    8.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    0.0679    6.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082   -1.1207    5.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2325    3.7409   11.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202    2.8257   10.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694    1.9113    4.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4984    0.7143    4.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5609    2.0654   12.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7844    0.7599   11.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3794    0.8726    3.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918    1.5306    2.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7567    0.8733   13.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2278    1.3093   11.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2987   -1.4518    3.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.7891    1.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2885    2.8149   13.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2107    3.7278   11.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -0.7892    2.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5674   -1.8575    1.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9997    4.4847   14.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4779    3.7775   13.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3418    1.2060    1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8705    0.0351    0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1289    3.0504   16.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    1.6562   15.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    1.2208   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9490    0.2280   -1.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6409   -0.9856   -2.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 13  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
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 16 50  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 52  1  0  0  0  0
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 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 21  2  0  0  0  0
 20 59  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
M  END
>  <MOL Chiral Flag>
0

>  <PUBCHEM_COMPOUND_CID>
13585

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
188

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
18

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAABACAAAACAAAACAAAAAAIAAAAAAAAAAIAAAAAAAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-vinyloxyoctadecane

>  <PUBCHEM_IUPAC_CAS_NAME>
1-ethenoxyoctadecane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-ethenoxyoctadecane

>  <PUBCHEM_IUPAC_NAME>
1-ethenoxyoctadecane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-ethenoxyoctadecane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-vinyloxyoctadecane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
QJJDJWUCRAPCOL-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
9.7

>  <PUBCHEM_EXACT_MASS>
296.307915895

>  <PUBCHEM_MOLECULAR_FORMULA>
C20H40O

>  <PUBCHEM_MOLECULAR_WEIGHT>
296.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCOC=C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCOC=C

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.307915895

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
21

>  <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

$$$$
