Molecule ID: 54715389

IUPAC Name: (3E,5Z)-7-hydroxy-6-oxido-7-oxohepta-3,5-dienoate

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

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

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

InChI: InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-3,8H,4H2,(H,9,10)(H,11,12)/p-2/b2-1+,5-3-

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.5