Molecule ID: 16421

IUPAC Name: ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane

Description: The molecule is an organic phosphonate, a phosphonic ester and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical.

SMILES: CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1

SELFIES: [C][C][O][P][=Branch1][C][=S][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3

Molecular Properties:
- Polar Surface Area: 96.4 Ų
- LogP: 4.4