Molecule ID: 54729370

IUPAC Name: (E,4E)-4-(carboxymethylidene)-2-oxidopent-2-enedioate

Description: The molecule is a tricarboxylic acid trianion resulting from deprotonation of the three carboxy groups of 4-carboxy-2-hydroxy-cis,cis-muconic acid; major species at pH 7.3. It is a conjugate base of a 4-carboxy-2-hydroxy-cis,cis-muconic acid.

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

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

InChI: InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/p-3/b3-2+,4-1+

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: 1.3