Molecule ID: 54751308

IUPAC Name: (2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-1-hydroxy-1,6-dioxoocta-2,4-dien-2-olate

Description: The molecule is a 6-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion. It has a role as a mouse metabolite. It derives from an octa-2,4-dienoate.

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

SELFIES: [O][=C][Branch1][C][O][/C][Branch1][C][O-1][=C][Branch1][C][Cl][/C][=C][\C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl]

InChI: InChI=1S/C14H9Cl5O4/c15-8-3-1-7(2-4-8)11(14(17,18)19)10(20)6-5-9(16)12(21)13(22)23/h1-6,11,21H,(H,22,23)/p-1/b6-5-,12-9+

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 5.4