Molecule ID: 9543244

IUPAC Name: (1R,2S)-3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-diol

Description: The molecule is a cyclohexadienediol in which the two hydroxy groups are ortho and cis to one another, with chlorine atoms on each of the other four ring carbons. It is a cyclohexadienediol and an organochlorine compound. It derives from a 1,2,3,4-tetrachlorobenzene.

SMILES: O[C@@H]1C(Cl)=C(Cl)C(Cl)=C(Cl)[C@@H]1O

SELFIES: [O][C@@H1][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C@@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C6H4Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h5-6,11-12H/t5-,6+

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 1.3