Molecule ID: 25202542

IUPAC Name: 4-(3,5-dihydroxy-7-oxochromen-2-yl)-2-hydroxyphenolate

Description: The molecule is an organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of cyanidin(1+). It is a conjugate base of a cyanidin cation.

SMILES: O=c1cc2oc(-c3ccc([O-])c(O)c3)c(O)cc-2c(O)c1

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

InChI: InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6,17-20H/p-1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 1.3