Molecule ID: 22057616

IUPAC Name: (E)-6-oxohept-3-enedioate

Description: The molecule is a dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 2-oxohept-4-ene-1,7-dioic acid; major species at pH 7.3. It is a conjugate base of a 2-oxohept-4-ene-1,7-dioic acid. It is a tautomer of a 2-hydroxyhepta-2,4-dienedioate.

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

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

InChI: InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,9,10)(H,11,12)/p-2/b2-1+

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 1.0