Molecule ID: 86289444

IUPAC Name: 8-hydroxy-3-(2-methoxy-2-oxoethyl)-9,10-dioxo-2-(3-oxopentanoyl)anthracen-1-olate

Description: The molecule is a phenolate anion obtained by deprotonation of 1-hydroxy group of methyl aklanonate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a methyl aklanonate.

SMILES: CCC(=O)CC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c([O-])cccc1C2=O

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

InChI: InChI=1S/C22H18O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,24,28H,3,8-9H2,1-2H3/p-1

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: 3.2