Molecule ID: 86289349

IUPAC Name: 2-benzoyl-3,5-dihydroxyphenolate

Description: The molecule is a phenolate anion that is the conjugate base of 2,4,6-trihydroxybenzophenone, obtained by deprotonation of one of the two ortho-hydroxy groups. Major structure at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 2,4,6-trihydroxybenzophenone.

SMILES: O=C(c1ccccc1)c1c(O)cc([O-])cc1O

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

InChI: InChI=1S/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 3.4