53950665
  -OEChem-04252411382D

 31 31  0     1  0  0  0  0  0999 V2000
    2.0000   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    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
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    3.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5611    0.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4081    0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6350    0.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 18  2  3  0  0  0
 11 17  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53950665

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
364

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAIGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAACAADAegmGIyAIAAARCAQiBCAIACAAAgBQAIiAAACogIJiKBExCAMAAkwAEIiAeAwCAOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[2-chloro-1-(2,4-dichlorophenyl)vinyl] ethyl methyl phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
phosphoric acid [2-chloro-1-(2,4-dichlorophenyl)ethenyl] ethyl methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[2-chloro-1-(2,4-dichlorophenyl)ethenyl] ethyl methyl phosphate

> <PUBCHEM_IUPAC_NAME>
[2-chloro-1-(2,4-dichlorophenyl)ethenyl] ethyl methyl phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[2-chloranyl-1-(2,4-dichlorophenyl)ethenyl] ethyl methyl phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phosphoric acid [2-chloro-1-(2,4-dichlorophenyl)vinyl] ethyl methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H12Cl3O4P/c1-3-17-19(15,16-2)18-11(7-12)9-5-4-8(13)6-10(9)14/h4-7H,3H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
JEEJELVGBADFIT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.7

> <PUBCHEM_EXACT_MASS>
343.953879

> <PUBCHEM_MOLECULAR_FORMULA>
C11H12Cl3O4P

> <PUBCHEM_MOLECULAR_WEIGHT>
345.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=O)(OC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=O)(OC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
44.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.953879

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  18  1
12  14  8
13  15  8
14  16  8
15  16  8
4  7  3
9  12  8
9  13  8

$$$$