Molecule ID: 86289380

IUPAC Name: 4-(6,8-dihydroxy-1-oxido-3,4-dioxonaphthalen-2-yl)-3-hydroxy-5,6-dioxonaphthalene-1,8-diolate

Description: The molecule is a flavonoid oxoanion that is a trianionic form of 3,8'-biflaviolin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 3,8'-biflaviolin 2,2'-diolate.

SMILES: O=C1C=C(O)c2c([O-])cc(O)c(C3=C(O)c4c([O-])cc([O-])cc4C(=O)C3=O)c2C1=O

SELFIES: [O][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O-1][C][=C][Branch1][C][O][C][Branch2][Ring1][N][C][=C][Branch1][C][O][C][=C][Branch1][C][O-1][C][=C][Branch1][C][O-1][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=C][=O][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N][=O]

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

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