Molecule ID: 5284462

IUPAC Name: [(Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate

Description: The molecule is an alkenyl phosphate, a dialkyl phosphate, an organophosphate insecticide, an organochlorine insecticide and a trichlorobenzene. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical, an EC 3.1.1.8 (cholinesterase) inhibitor and an acaricide. It derives from a 1-phenylethenol.

SMILES: COP(=O)(OC)O/C(=C\Cl)c1cc(Cl)c(Cl)cc1Cl

SELFIES: [C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][/C][=Branch1][Ring1][=C][\Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]

InChI: InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5-

Molecular Properties:
- Polar Surface Area: 44.8 Ų
- LogP: 3.5