Marvin  07090711512D          

 11 10  0  0  0  0            999 V2000
    0.7939    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0794   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6351    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3496   -1.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3496   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0640    0.1833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5083   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939    0.1833    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.7939   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5083   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  2  0  0  0  0
  9  7  1  0  0  0  0
  9  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:34690

> <NAME>
dichlorvos

> <DEFINITION>
An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate.

> <STAR>
3

> <SYNONYM>
Phosphoric acid, 2,2-dichlorovinyl dimethyl ester; Phosphoric acid, 2,2-dichloroethenyl dimethyl ester; Dimethyl-2,2-dichlorovinyl phosphate; Dimethyl 2,2-dichlorovinyl phosphate; Dichlorvos; DDVP; DDVP; 2,2-Dichloroethenyl dimethyl phosphate

> <IUPAC_NAME>
2,2-dichloroethenyl dimethyl phosphate

> <FORMULA>
C4H7Cl2O4P

> <MASS>
220.97514

> <MONOISOTOPIC_MASS>
219.94590

> <CHARGE>
0

> <SMILES>
COP(=O)(OC)OC=C(Cl)Cl

> <INCHI>
InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3

> <INCHIKEY>
OEBRKCOSUFCWJD-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1709141

> <CAS_REGISTRY_NUMBER>
62-73-7

> <REAXYS_REGISTRY_NUMBER>
1709141

> <CHEMIDPLUS>
62-73-7

> <KEGG_COMPOUND_ACCESSION>
C14430

> <KEGG_DRUG_ACCESSION>
D03791

> <METACYC_ACCESSION>
CPD-10185

> <NIST_CHEMISTRY_WEBBOOK>
62-73-7

> <WIKIPEDIA_ACCESSION>
Dichlorvos

> <PUBMED_CITATION>
24021659; 24231740; 24374570

$$$$