Molecule ID: 54750830

IUPAC Name: 4-carboxy-2-(5-carboxy-3-methoxy-2-oxidophenyl)-6-hydroxyphenolate

Description: The molecule is a dicarboxylic acid dianion resulting from the deprotonation of both ot the carboxy groups of 5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid. The major microspecies at pH 7.3. It is an aromatic carboxylate and a dicarboxylic acid dianion. It is a conjugate base of a 5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid.

SMILES: COc1cc(C(=O)O)cc(-c2cc(C(=O)O)cc([O-])c2[O-])c1O

SELFIES: [C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][C][O-1][=C][Ring1][#Branch2][O-1][=C][Ring2][Ring1][Ring2][O]

InChI: InChI=1S/C15H12O8/c1-23-11-5-7(15(21)22)3-9(13(11)18)8-2-6(14(19)20)4-10(16)12(8)17/h2-5,16-18H,1H3,(H,19,20)(H,21,22)/p-2

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: 2.8