Molecule ID: 135871120

IUPAC Name: 4,5,7-trihydroxy-3-(1,6,8-trihydroxy-3,4-dioxonaphthalen-2-yl)naphthalene-1,2-dione

Description: The molecule is a ring assembly compound consisting of two flaviolin units joined by a 3,3'-linkage. It derives from a flaviolin. It is a conjugate acid 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][=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][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

Molecular Properties:
- Polar Surface Area: 190.0 Ų
- LogP: 1.1