Molecule ID: 9543081

IUPAC Name: (4S,5R)-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate

Description: The molecule is a dicarboxylic acid dianion arising from deprotonation of the carboxy groups of cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid; major species at pH 7.3. It is a dicarboxylic acid dianion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid.

SMILES: O=C([O-])C1=C[C@@H](O)[C@@H](O)C=C1C(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][C][=C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C8H8O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,5-6,9-10H,(H,11,12)(H,13,14)/p-2/t5-,6+

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -0.3