Molecule ID: 16730035

IUPAC Name: 2-[(E)-3-carboxylato-3-oxoprop-1-enyl]benzoate

Description: The molecule is a dicarboxylic acid dianion resulting from removal of a proton from both carboxy groups of trans-2-carboxybenzylidenepyruvic acid. It derives from a pyruvate.

SMILES: O=C([O-])C(=O)/C=C/c1ccccc1C(=O)[O-]

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

InChI: InChI=1S/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)/p-2/b6-5+

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 2.6