Molecule ID: 16722131

IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2,2-dichloro-1-phenylcyclopropane-1-carboxylate

Description: The molecule is a carboxylic ester having 2,2-dichloro-1-phenylcyclopropanecarboxylic acid as the acid component and hydroxy(3-phenoxyphenyl)acetonitrile as the alcohol component. It has a role as a pyrethroid ester insecticide and an agrochemical. It is an organochlorine compound, a nitrile, an aromatic ether and a cyclopropanecarboxylate ester. It derives from a 2,2-dichloro-1-phenylcyclopropanecarboxylic acid.

SMILES: N#CC(OC(=O)C1(c2ccccc2)CC1(Cl)Cl)c1cccc(Oc2ccccc2)c1

SELFIES: [N][#C][C][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][Branch1][C][Cl][Cl][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]

InChI: InChI=1S/C24H17Cl2NO3/c25-24(26)16-23(24,18-9-3-1-4-10-18)22(28)30-21(15-27)17-8-7-13-20(14-17)29-19-11-5-2-6-12-19/h1-14,21H,16H2

Molecular Properties:
- Polar Surface Area: 59.3 Ų
- LogP: 5.9