183729
  -OEChem-05191307092D

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    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 47  1  0  0  0  0
 12 17  1  0  0  0  0
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 14 15  1  0  0  0  0
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 14 53  1  0  0  0  0
 15 19  1  0  0  0  0
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 15 55  1  0  0  0  0
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 16 63  1  0  0  0  0
 16 64  1  0  0  0  0
 17 59  1  0  0  0  0
 17 60  1  0  0  0  0
 17 61  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 20  1  0  0  0  0
 19 65  1  0  0  0  0
 19 66  1  0  0  0  0
 20 21  1  0  0  0  0
 20 67  1  0  0  0  0
 20 68  1  0  0  0  0
 21 22  1  0  0  0  0
 21 69  1  0  0  0  0
 21 70  1  0  0  0  0
 22 23  1  0  0  0  0
 22 71  1  0  0  0  0
 22 72  1  0  0  0  0
 23 24  1  0  0  0  0
 23 73  1  0  0  0  0
 23 74  1  0  0  0  0
 24 25  1  0  0  0  0
 24 75  1  0  0  0  0
 24 76  1  0  0  0  0
 25 26  1  0  0  0  0
 25 77  1  0  0  0  0
 25 78  1  0  0  0  0
 26 27  1  0  0  0  0
 26 79  1  0  0  0  0
 26 80  1  0  0  0  0
 27 81  1  0  0  0  0
 27 82  1  0  0  0  0
 27 83  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
183729

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
252

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
22

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAgAAAAACACIAAACAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tributyl(tetradecyl)phosphonium

> <PUBCHEM_IUPAC_CAS_NAME>
tributyl(tetradecyl)phosphonium

> <PUBCHEM_IUPAC_NAME>
tributyl(tetradecyl)phosphanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tributyl(tetradecyl)phosphanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tributyl(myristyl)phosphonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H56P/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4/h5-26H2,1-4H3/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
YCBRTSYWJMECAH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
10.4

> <PUBCHEM_EXACT_MASS>
399.411963

> <PUBCHEM_MOLECULAR_FORMULA>
C26H56P+

> <PUBCHEM_MOLECULAR_WEIGHT>
399.696602

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
399.411963

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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

$$$$