Molecule ID: 25244909

IUPAC Name: (E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate

Description: The molecule is a dicarboxylic acid dianion arising from deprotonation of the carboxy groups of 4-carboxy-2-hydroxy-cis,cis-muconic acid 6-semialdehyde; major species at pH 7.3. It is a conjugate base of a 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde.

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

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][/C][=C][Branch1][Ring2][\C][=C][\O-1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,8H,(H,10,11)(H,12,13)/p-2/b2-1+,4-3+

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 0.8