8201
  DSViewer          3D                             0

 59 58  0  0  0  0  0  0  0  0999 V2000
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   -0.0694   -1.0352   -0.0007 O   0  0  0  0  0  0  0  0  0  2
   11.5510    0.9033    0.0003 C   0  0  0  0  0  0  0  0  0  3
   10.2714   -0.0092    0.0002 C   0  0  0  0  0  0  0  0  0  4
   12.8591    0.0363    0.0002 C   0  0  0  0  0  0  0  0  0  5
    8.9592    0.8550    0.0003 C   0  0  0  0  0  0  0  0  0  6
   14.1385    0.9422    0.0003 C   0  0  0  0  0  0  0  0  0  7
    7.6760   -0.0543    0.0001 C   0  0  0  0  0  0  0  0  0  8
   15.4345    0.0658    0.0002 C   0  0  0  0  0  0  0  0  0  9
    6.3726    0.8211    0.0002 C   0  0  0  0  0  0  0  0  0 10
   16.7133    0.9611    0.0002 C   0  0  0  0  0  0  0  0  0 11
    5.0774   -0.0676   -0.0001 C   0  0  0  0  0  0  0  0  0 12
   17.9927    0.0734    0.0001 C   0  0  0  0  0  0  0  0  0 13
    3.8011    0.8401    0.0001 C   0  0  0  0  0  0  0  0  0 14
   19.2689    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0 15
    2.4828   -0.0043   -0.0002 C   0  0  0  0  0  0  0  0  0 16
   20.5316    0.0610   -0.0001 C   0  0  0  0  0  0  0  0  0 17
    1.2541    0.9587    0.0000 C   0  0  0  0  0  0  0  0  0 18
   21.8029    0.9379   -0.0002 C   0  0  0  0  0  0  0  0  0 19
   -0.0617    0.1928   -0.0003 C   0  0  0  0  0  0  0  0  0 20
   -2.3825   -0.0019   -0.0004 C   0  0  0  0  0  0  0  0  0 21
   11.5403    1.5324   -0.8897 H   0  0  0  0  0  0  0  0  0 22
   11.5403    1.5322    0.8906 H   0  0  0  0  0  0  0  0  0 23
   10.2831   -0.6380   -0.8901 H   0  0  0  0  0  0  0  0  0 24
   10.2830   -0.6383    0.8902 H   0  0  0  0  0  0  0  0  0 25
   12.8688   -0.5928    0.8903 H   0  0  0  0  0  0  0  0  0 26
   12.8688   -0.5926   -0.8900 H   0  0  0  0  0  0  0  0  0 27
    8.9484    1.4839    0.8905 H   0  0  0  0  0  0  0  0  0 28
    8.9485    1.4842   -0.8898 H   0  0  0  0  0  0  0  0  0 29
   14.1318    1.5713   -0.8898 H   0  0  0  0  0  0  0  0  0 30
   14.1318    1.5712    0.8905 H   0  0  0  0  0  0  0  0  0 31
    7.6839   -0.6832   -0.8902 H   0  0  0  0  0  0  0  0  0 32
    7.6838   -0.6835    0.8901 H   0  0  0  0  0  0  0  0  0 33
   15.4396   -0.5633    0.8903 H   0  0  0  0  0  0  0  0  0 34
   15.4395   -0.5632   -0.8900 H   0  0  0  0  0  0  0  0  0 35
    6.3694    1.4500    0.8905 H   0  0  0  0  0  0  0  0  0 36
    6.3695    1.4503   -0.8898 H   0  0  0  0  0  0  0  0  0 37
   16.7120    1.5902   -0.8899 H   0  0  0  0  0  0  0  0  0 38
   16.7121    1.5901    0.8904 H   0  0  0  0  0  0  0  0  0 39
    5.0721   -0.6964   -0.8904 H   0  0  0  0  0  0  0  0  0 40
    5.0720   -0.6969    0.8899 H   0  0  0  0  0  0  0  0  0 41
   17.9927   -0.5557    0.8902 H   0  0  0  0  0  0  0  0  0 42
   17.9926   -0.5556   -0.8901 H   0  0  0  0  0  0  0  0  0 43
    3.8163    1.4688    0.8904 H   0  0  0  0  0  0  0  0  0 44
    3.8164    1.4692   -0.8899 H   0  0  0  0  0  0  0  0  0 45
   19.2725    1.5873   -0.8901 H   0  0  0  0  0  0  0  0  0 46
   19.2726    1.5872    0.8902 H   0  0  0  0  0  0  0  0  0 47
    2.4529   -0.6324   -0.8905 H   0  0  0  0  0  0  0  0  0 48
    2.4529   -0.6329    0.8898 H   0  0  0  0  0  0  0  0  0 49
   20.5273   -0.5681    0.8900 H   0  0  0  0  0  0  0  0  0 50
   20.5271   -0.5681   -0.8903 H   0  0  0  0  0  0  0  0  0 51
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   22.6857    0.2987   -0.0003 H   0  0  0  0  0  0  0  0  0 54
   21.8108    1.5673    0.8897 H   0  0  0  0  0  0  0  0  0 55
   21.8106    1.5674   -0.8901 H   0  0  0  0  0  0  0  0  0 56
   -3.3153    0.5618   -0.0002 H   0  0  0  0  0  0  0  0  0 57
   -2.3381   -0.6302    0.8893 H   0  0  0  0  0  0  0  0  0 58
   -2.3380   -0.6296   -0.8905 H   0  0  0  0  0  0  0  0  0 59
  1 20  1  0  0  0
  1 21  1  0  0  0
  2 20  2  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  6  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  7  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  8  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  9  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 11  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 12  1  0  0  0
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 10 37  1  0  0  0
 11 13  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
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 12 41  1  0  0  0
 13 15  1  0  0  0
 13 42  1  0  0  0
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 15 17  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 18  1  0  0  0
 16 48  1  0  0  0
 16 49  1  0  0  0
 17 19  1  0  0  0
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 17 51  1  0  0  0
 18 20  1  0  0  0
 18 52  1  0  0  0
 18 53  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 19 56  1  0  0  0
 21 57  1  0  0  0
 21 58  1  0  0  0
 21 59  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8201

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
214

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
17

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl octadecanoate

> <PUBCHEM_IUPAC_CAS_NAME>
octadecanoic acid methyl ester

> <PUBCHEM_IUPAC_NAME>
methyl octadecanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl octadecanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
stearic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HPEUJPJOZXNMSJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
9

> <PUBCHEM_EXACT_MASS>
298.287

> <PUBCHEM_MOLECULAR_FORMULA>
C19H38O2

> <PUBCHEM_MOLECULAR_WEIGHT>
298.504

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCC(=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCC(=O)OC

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.287

> <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

$$$$