Molecule ID: 25244228

IUPAC Name: (Z)-hex-1-ene-1,2,6-tricarboxylate

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

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

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

InChI: InChI=1S/C9H12O6/c10-7(11)4-2-1-3-6(9(14)15)5-8(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)/p-3/b6-5-

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 2.2