Molecule ID: 25246283

IUPAC Name: (2Z,5Z)-4-(carboxylatomethylidene)hepta-2,5-dienedioate

Description: The molecule is tricarboxylate anion of 3-(2-carboxyethenyl)-cis,cis-muconic acid; major species at pH 7.3. It is a conjugate base of a 3-(2-carboxyethenyl)-cis,cis-muconic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][C][=C][Branch1][Branch2][/C][=C][\C][=Branch1][C][=O][O-1][/C][=C][\C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C9H8O6/c10-7(11)3-1-6(5-9(14)15)2-4-8(12)13/h1-5H,(H,10,11)(H,12,13)(H,14,15)/p-3/b3-1-,4-2-

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 2.4