70583888
  -OEChem-05062416342D

 37 37  0     0  0  0  0  0  0999 V2000
    8.2700    4.3700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2700    4.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431    7.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    8.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231    8.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2700    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8900    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2700    4.9900    0.0000 H   0  0  0  0  0  0  0  0  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  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  7 19  1  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 15  2  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  CHG  1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
70583888

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
242

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAIEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgIAACAADASAmEAyBoAAARCAQiBCAIACAAAgIAAIiAAGCIgIJiKAERKAMAAkwBEIiAeAwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(4-methylphenoxy)-oxo-phosphonium;chloromethane

> <PUBCHEM_IUPAC_CAS_NAME>
bis(4-methylphenoxy)-oxophosphonium;chloromethane

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(4-methylphenoxy)-oxophosphanium;chloromethane

> <PUBCHEM_IUPAC_NAME>
bis(4-methylphenoxy)-oxophosphanium;chloromethane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(4-methylphenoxy)-oxidanylidene-phosphanium;chloranylmethane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
chloromethane;keto-bis(4-methylphenoxy)phosphonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14O3P.CH3Cl/c1-11-3-7-13(8-4-11)16-18(15)17-14-9-5-12(2)6-10-14;1-2/h3-10H,1-2H3;1H3/q+1;

> <PUBCHEM_IUPAC_INCHIKEY>
XIKKNAOAOQRJTP-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
311.0603841

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17ClO3P+

> <PUBCHEM_MOLECULAR_WEIGHT>
311.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)O[P+](=O)OC2=CC=C(C=C2)C.CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)O[P+](=O)OC2=CC=C(C=C2)C.CCl

> <PUBCHEM_CACTVS_TPSA>
35.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
311.0603841

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
6  10  8
6  12  8
7  11  8
7  13  8
8  14  8
8  16  8
9  15  8
9  17  8

$$$$