Molecule ID: 25203706

IUPAC Name: 6-hydroxy-8-methoxy-3-methyl-9,10-dioxoanthracen-1-olate

Description: The molecule is the conjugate base of questin arising from selective deprotonation of the 2-hydroxy group. It is a conjugate base of a questin.

SMILES: COc1cc([O-])cc2c1C(=O)c1c(O)cc(C)cc1C2=O

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

InChI: InChI=1S/C16H12O5/c1-7-3-9-13(11(18)4-7)16(20)14-10(15(9)19)5-8(17)6-12(14)21-2/h3-6,17-18H,1-2H3/p-1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 3.1