Molecule ID: 54675853

IUPAC Name: (Z,2Z)-2-[carboxy(oxido)methylidene]-6-methyl-5-oxohept-3-enoate

Description: The molecule is a hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy groups of 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid; major species at pH 7.3. It derives from an octa-2,4-dienoate. It is a conjugate base of a 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid.

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

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

InChI: InChI=1S/C10H12O6/c1-5(2)7(11)4-3-6(9(13)14)8(12)10(15)16/h3-5,12H,1-2H3,(H,13,14)(H,15,16)/p-2/b4-3-,8-6-

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 1.9