Molecule ID: 70698366

IUPAC Name: 2-hexanoyl-3,6,8-trihydroxy-9,10-dioxoanthracen-1-olate

Description: The molecule is an organic anion obtained by selective deprotonation of the 2-hydroxy group of norsolorinic acid. It is a conjugate base of a norsolorinic acid. It is a conjugate acid of a norsolorinate(2-).

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

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][=O]

InChI: InChI=1S/C20H18O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,21,23-24,27H,2-5H2,1H3/p-1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: 4.8