Molecule ID: 25244889

IUPAC Name: (Z)-pent-1-ene-1,2,5-tricarboxylate

Description: The molecule is a tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of cis-dihomoaconitic acid; major species at pH 7.3. It is a conjugate base of a cis-dihomoaconitic acid.

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

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

InChI: InChI=1S/C8H10O6/c9-6(10)3-1-2-5(8(13)14)4-7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/p-3/b5-4-

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 1.6