Molecule ID: 86289406

IUPAC Name: 2-hexanoyl-3,6,8-trihydroxy-9-oxo-10H-anthracen-1-olate

Description: The molecule is a phenolate anion obtained by deprotonation of the 2-hydroxy group of norsolorinic acid anthrone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). 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][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-1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 5.3