Molecule ID: 136351787

IUPAC Name: 2-(6,8-dihydroxy-1-oxido-3,4-dioxonaphthalen-2-yl)-6-hydroxy-3,4-dioxonaphthalene-1,8-diolate

Description: The molecule is a flavonoid oxoanion that is a trianionic form of 3,3'-biflaviolin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 3,3'-biflaviolin 2,2'-diolate.

SMILES: O=C1C(=O)c2cc([O-])cc([O-])c2C(O)=C1C1=C(O)c2c(O)cc([O-])cc2C(=O)C1=O

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

InChI: InChI=1S/C20H10O10/c21-5-1-7-11(9(23)3-5)17(27)13(19(29)15(7)25)14-18(28)12-8(16(26)20(14)30)2-6(22)4-10(12)24/h1-4,21-24,27-28H/p-3

Molecular Properties:
- Polar Surface Area: 198.0 Ų
- LogP: 2.5