70613994
  -OEChem-04182419012D

 76 76  0     0  0  0  0  0  0999 V2000
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    1.4030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1972    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7953    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5991   12.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2656    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6675    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  4  7  1  0  0  0  0
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  6  9  1  0  0  0  0
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 19 64  1  0  0  0  0
 19 65  1  0  0  0  0
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 22 24  2  0  0  0  0
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 26 70  1  0  0  0  0
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 28 32  2  0  0  0  0
 28 72  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70613994

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
334

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADACAmAAyCIAAAgCIAiDSCAACAAAgAAAIiAEAAIgIIDKAERCAYAAkgAAIiAeIyOCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
biphenyl;(Z)-octadec-9-enoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
1,1'-biphenyl;(Z)-9-octadecenoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,1&apos;-biphenyl;(<I>Z</I>)-octadec-9-enoic acid

> <PUBCHEM_IUPAC_NAME>
1,1'-biphenyl;(Z)-octadec-9-enoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1'-biphenyl;(Z)-octadec-9-enoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
biphenyl;oleic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H34O2.C12H10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-10H/b10-9-;

> <PUBCHEM_IUPAC_INCHIKEY>
SBLJCXQRGMBEMU-KVVVOXFISA-N

> <PUBCHEM_EXACT_MASS>
436.334130642

> <PUBCHEM_MOLECULAR_FORMULA>
C30H44O2

> <PUBCHEM_MOLECULAR_WEIGHT>
436.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC=CCCCCCCCC(=O)O.C1=CC=C(C=C1)C2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCC/C=C\CCCCCCCC(=O)O.C1=CC=C(C=C1)C2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
436.334130642

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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

> <PUBCHEM_BONDANNOTATIONS>
21  23  8
21  25  8
22  24  8
22  26  8
23  27  8
24  28  8
25  29  8
26  30  8
27  31  8
28  32  8
29  31  8
30  32  8

$$$$