Molecule ID: 146026612

IUPAC Name: 6-carboxy-2,4,7-trihydroxy-5-methyl-9,10-dioxoanthracen-1-olate

Description: The molecule is a monocarboxylic acid that is the conjugate base of kermesic acid, obtained from the deprotonation of the carboxy group. Major species at pH 7.3. It is a conjugate base of a kermesic acid.

SMILES: Cc1c(C(=O)O)c([O-])cc2c1C(=O)c1c(O)cc(O)c(O)c1C2=O

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

InChI: InChI=1S/C16H10O8/c1-4-9-5(2-6(17)10(4)16(23)24)13(20)12-11(15(9)22)7(18)3-8(19)14(12)21/h2-3,17-19,21H,1H3,(H,23,24)/p-1

Molecular Properties:
- Polar Surface Area: 155.0 Ų
- LogP: 3.1