Molecule ID: 21158452

IUPAC Name: (E)-4-oxobut-1-ene-1,2,4-tricarboxylate

Description: The molecule is trianion of (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid arising from deprotonation of all three carboxylic acid groups. It is a conjugate base of a (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid.

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

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

InChI: InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/p-3/b3-2+

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: 0.9