Molecule ID: 9543176

IUPAC Name: (1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylate

Description: The molecule is trianion of 3-carboxy-cis,cis-muconic acid arising from deprotonation of all three carboxylic acid functions. It is a conjugate base of a 3-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][=Branch1][#Branch1][=C][/C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1]

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

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 1.5