Molecule ID: 135563705

IUPAC Name: 2,3,4,9-tetrahydroxy-6-methyl-7-oxophenalen-1-olate

Description: The molecule is an organic anion resulting from the deprotonation of the 3-hydroxy group of 2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one; major microspecies at pH 7.3. It is a conjugate base of a 2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one.

SMILES: Cc1cc([O-])c2c(O)c(O)c(O)c3c2c1C(=O)C=C3O

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

InChI: InChI=1S/C14H10O6/c1-4-2-5(15)9-11-8(4)6(16)3-7(17)10(11)13(19)14(20)12(9)18/h2-3,15,17-20H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 3.2