Molecule ID: 54675856

IUPAC Name: (2E,4Z)-1-hydroxy-7-methyl-1,6-dioxoocta-2,4-dien-2-olate

Description: The molecule is a hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy group of (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid; major species at pH 7.3. It is a hydroxy monocarboxylic acid anion and a 6-oxo monocarboxylic acid anion. It is a conjugate base of a (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid.

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

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

InChI: InChI=1S/C9H12O4/c1-6(2)7(10)4-3-5-8(11)9(12)13/h3-6,11H,1-2H3,(H,12,13)/p-1/b4-3-,8-5+

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 1.9