Molecule ID: 54690266

IUPAC Name: (1E,3E)-6-hydroxy-5,6-dioxo-1-phenylhexa-1,3-dien-1-olate

Description: The molecule is the 5-oxo monocarboxylic acid anion resulting from the removal of the proton from the carboxylic acid group of 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid. It is a conjugate base of a 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid. It is a tautomer of a 2,6-dioxo-6-phenylhexa-3-enoate(1-).

SMILES: O=C(O)C(=O)/C=C/C=C(/[O-])c1ccccc1

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][C][/O-1][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,13H,(H,15,16)/p-1/b8-4+,10-7+

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 2.5