Molecule ID: 25246117

IUPAC Name: (E,3Z)-7-hydroxy-3-(oxidomethylidene)-6,7-dioxohept-4-enoate

Description: The molecule is dicarboxylate anion of 5-formyl-2-hydroxyhepta-2,4-dienedioic acid; major species at pH 7.3. It is a conjugate base of a 5-formyl-2-hydroxyhepta-2,4-dienedioic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][C][C][=Branch1][Ring1][=C][/O-1][/C][=C][/C][=Branch1][C][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,9H,3H2,(H,11,12)(H,13,14)/p-2/b2-1+,5-4+

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 1.2