Molecule ID: 146026628

IUPAC Name: 7-carboxy-3,6-dihydroxy-8-methyl-9,10-dioxoanthracen-1-olate

Description: The molecule is a monocarboxylic acid that is the conjugate base of laccaic acid D, obtained from the deprotonation of the carboxy group. Major species at pH 7.3. It is a conjugate base of a laccaic acid D.

SMILES: Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cc([O-])cc1C2=O

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

InChI: InChI=1S/C16H10O7/c1-5-11-8(4-10(19)12(5)16(22)23)14(20)7-2-6(17)3-9(18)13(7)15(11)21/h2-4,17-19H,1H3,(H,22,23)/p-1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: 2.9