Molecule ID: 5280975

IUPAC Name: (2E,4E)-3,8,8-trichloro-7-(4-chlorophenyl)-2-hydroxy-6-oxoocta-2,4,7-trienoic acid

Description: The molecule is an oxo monocarboxylic acid that is 3,8,8-trichloroocta-2,4,7-trienoic acid substituted by a 4-chlorophenyl group at position 7, a hydroxy group at position 2 and an oxo group at position 6. It is a member of monochlorobenzenes, an oxo monocarboxylic acid and an enol. It is a conjugate acid of a 6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoate.

SMILES: O=C(/C=C/C(Cl)=C(\O)C(=O)O)C(=C(Cl)Cl)c1ccc(Cl)cc1

SELFIES: [O][=C][Branch1][S][/C][=C][/C][Branch1][C][Cl][=C][Branch1][C][\O][C][=Branch1][C][=O][O][C][=Branch1][=Branch1][=C][Branch1][C][Cl][Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C14H8Cl4O4/c15-8-3-1-7(2-4-8)11(13(17)18)10(19)6-5-9(16)12(20)14(21)22/h1-6,20H,(H,21,22)/b6-5+,12-9+

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 4.6