Molecule ID: 5120668

IUPAC Name: 3-chloro-6-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]cyclohexa-3,5-diene-1,2-diol

Description: The molecule is the cyclohexadienediol formed by dearomatization of 2,3-dihydroxy-DDT by reduction at the C(2) and C(3) positions. It derives from a 2,3-dihydroxy-DDT.

SMILES: OC1C(Cl)=CC=C(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)C1O

SELFIES: [O][C][C][Branch1][C][Cl][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][Ring2][Ring1][Ring1][O]

InChI: InChI=1S/C14H11Cl5O2/c15-8-3-1-7(2-4-8)11(14(17,18)19)9-5-6-10(16)13(21)12(9)20/h1-6,11-13,20-21H

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 4.0