Molecule ID: 86289596

IUPAC Name: 3-hydroxy-6-methoxy-7-methyl-5,8-dioxonaphthalen-1-olate

Description: The molecule is an organic anion that is the conjugate base of 2-O,3-dimethylflaviolin, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 2-O,3-dimethylflaviolin.

SMILES: COC1=C(C)C(=O)c2c(O)cc([O-])cc2C1=O

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

InChI: InChI=1S/C12H10O5/c1-5-10(15)9-7(11(16)12(5)17-2)3-6(13)4-8(9)14/h3-4,13-14H,1-2H3/p-1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 1.9