Molecule ID: 86289303

IUPAC Name: 3-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylbenzoyl)-5-methylphenolate

Description: The molecule is a phenolate anion that is the conjugate base of sulochrin, obtained by deprotonation of one of the phenolic hydroxy groups; major species at pH 7.3. It is a conjugate base of a sulochrin.

SMILES: COC(=O)c1cc([O-])cc(OC)c1C(=O)c1c(O)cc(C)cc1O

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

InChI: InChI=1S/C17H16O7/c1-8-4-11(19)15(12(20)5-8)16(21)14-10(17(22)24-3)6-9(18)7-13(14)23-2/h4-7,18-20H,1-3H3/p-1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 3.6