Molecule ID: 46926144

IUPAC Name: 2-hexanoyl-3,6-dihydroxy-9-oxo-10H-anthracene-1,8-diolate

Description: The molecule is an organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of norsolorinic acid anthrone. It is a conjugate base of a norsolorinic acid anthrone.

SMILES: CCCCCC(=O)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2

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

InChI: InChI=1S/C20H20O6/c1-2-3-4-5-13(22)18-14(23)8-11-6-10-7-12(21)9-15(24)16(10)19(25)17(11)20(18)26/h7-9,21,23-24,26H,2-6H2,1H3/p-2

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 5.4