Molecule ID: 91828236

IUPAC Name: (E,2R)-5-oxopent-3-ene-1,2,5-tricarboxylate

Description: The molecule is a tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylic acid; major species at pH 7.3. It is a conjugate base of a (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylic acid.

SMILES: O=C([O-])C[C@H](/C=C/C(=O)C(=O)[O-])C(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][C][C@H1][Branch1][N][/C][=C][/C][=Branch1][C][=O][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)/p-3/b2-1+/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: 1.1