Molecule ID: 25245707

IUPAC Name: (3Z)-buta-1,3-diene-1,1,4-tricarboxylate

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

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

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

InChI: InChI=1S/C7H6O6/c8-5(9)3-1-2-4(6(10)11)7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13)/p-3/b3-1-

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 1.9