Molecule ID: 25201891

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

Description: The molecule is dianion of 3,3'-biflaviolin arising from selective deprotonation of the OH groups at the 2- and 2'-positions. It is a conjugate base of a 3,3'-biflaviolin. It is a conjugate acid of a 3,3'-biflaviolin(3-).

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][=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-2

Molecular Properties:
- Polar Surface Area: 195.0 Ų
- LogP: 2.4