Molecule ID: 135527502

IUPAC Name: 2-[(2Z,4E)-5-carboxy-5-hydroxypenta-2,4-dienoyl]phenolate

Description: The molecule is a 6-oxo monocarboxylic acid anion that is the conjugate base of 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoic acid. It derives from a sorbate. It is a conjugate base of a 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoic acid. It is a conjugate acid of a 2-hydroxy-6-(2-oxidophenyl)-6-oxo-cis,cis-hexa-2,4-dienoate(2-).

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

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

InChI: InChI=1S/C12H10O5/c13-9-5-2-1-4-8(9)10(14)6-3-7-11(15)12(16)17/h1-7,13,15H,(H,16,17)/p-1/b6-3-,11-7+

Molecular Properties:
- Polar Surface Area: 97.7 Ų
- LogP: 2.2