Molecule ID: 54740357

IUPAC Name: 4-carboxy-6-oxocyclohepta-2,4,7-triene-1,2-diolate

Description: The molecule is dianion of stipitatic acid arising from deprotonation of the carboxylic acid and 6-hydroxy groups. It is a 5-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a stipitatic acid and a stipitatate(1-).

SMILES: O=C(O)c1cc([O-])c([O-])cc(=O)c1

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

InChI: InChI=1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,10-11H,(H,12,13)/p-2

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 0.9