65577
  -OEChem-05032419272D

 77 76  0     0  0  0  0  0  0999 V2000
    8.9282   -3.0311    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4282    3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0588   -3.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9938   -3.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -3.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4032    0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032    0.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -2.0561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -2.0561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    1.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    0.9005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258   -3.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229   -3.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032    1.7665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032    2.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889   -2.0561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919   -2.0561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5464   -3.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -2.4942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3913    4.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  7  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  8  1  0  0  0  0
  5 31  1  0  0  0  0
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 16 54  1  0  0  0  0
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 20 23  1  0  0  0  0
 20 61  1  0  0  0  0
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 21 63  1  0  0  0  0
 21 64  1  0  0  0  0
 22 25  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 26  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
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 24 70  1  0  0  0  0
 24 71  1  0  0  0  0
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 25 73  1  0  0  0  0
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 26 75  1  0  0  0  0
 26 76  1  0  0  0  0
 26 77  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65577

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
266

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
21

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAgAACAACACIAAACAAAAACAAQAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-dioctylphosphoryloctane

> <PUBCHEM_IUPAC_CAS_NAME>
1-dioctylphosphoryloctane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-dioctylphosphoryloctane

> <PUBCHEM_IUPAC_NAME>
1-dioctylphosphoryloctane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-dioctylphosphoryloctane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-dioctylphosphoryloctane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZMBHCYHQLYEYDV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
9.6

> <PUBCHEM_EXACT_MASS>
386.36775324

> <PUBCHEM_MOLECULAR_FORMULA>
C24H51OP

> <PUBCHEM_MOLECULAR_WEIGHT>
386.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.36775324

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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

$$$$