Molecule ID: 86289308

IUPAC Name: 3,5-dihydroxy-2-(3-hydroxybenzoyl)phenolate

Description: The molecule is a phenolate anion that is the conjugate base of 2,3',4,6-tetrahydroxybenzophenone, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3. It is a conjugate base of a 2,3',4,6-tetrahydroxybenzophenone.

SMILES: O=C(c1cccc([O-])c1)c1c(O)cc(O)cc1O

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

InChI: InChI=1S/C13H10O5/c14-8-3-1-2-7(4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H/p-1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 3.0