53800670
  -OEChem-04252408582D

 20 20  0     0  0  0  0  0  0999 V2000
    2.0000   -0.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1900    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  2  3  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  CHG  1   4   1
M  END
> <PUBCHEM_COMPOUND_CID>
53800670

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
272

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwMAIGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIACCAADAeAmGAwAIAAARCAQiBCAIACAAAgBQAIiAAACogIJiKBExCAMAAkwAEIiAeAwCAOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[2-chloro-1-(2,4-dichlorophenyl)vinyloxy]-hydroxy-oxo-phosphonium

> <PUBCHEM_IUPAC_CAS_NAME>
[2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-hydroxy-oxophosphonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
[2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-hydroxy-oxophosphanium

> <PUBCHEM_IUPAC_NAME>
[2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-hydroxy-oxophosphanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[2-chloranyl-1-(2,4-dichlorophenyl)ethenoxy]-oxidanyl-oxidanylidene-phosphanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-chloro-1-(2,4-dichlorophenyl)vinyloxy]-hydroxy-keto-phosphonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H4Cl3O3P/c9-4-8(14-15(12)13)6-2-1-5(10)3-7(6)11/h1-4H/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
SHJFFEJWPVDKDL-UHFFFAOYSA-O

> <PUBCHEM_XLOGP3>
2.2

> <PUBCHEM_EXACT_MASS>
284.904189

> <PUBCHEM_MOLECULAR_FORMULA>
C8H5Cl3O3P+

> <PUBCHEM_MOLECULAR_WEIGHT>
286.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1Cl)Cl)C(=CCl)O[P+](=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1Cl)Cl)C(=CCl)O[P+](=O)O

> <PUBCHEM_CACTVS_TPSA>
46.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.904189

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  13  8
11  15  1
12  14  8
13  14  8
8  10  8
8  9  8
9  12  8

$$$$