Molecule ID: 54746226

IUPAC Name: 6-hydroxy-1,3,5-trioxocyclohepta[c]furan-8-olate

Description: The molecule is conjugate base of stipitatonic acid arising from selective deprotonation of the 4-hydroxy group; major species at pH 7.3. It is a conjugate base of a stipitatonic acid.

SMILES: O=C1OC(=O)c2c(O)cc([O-])c(=O)cc21

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

InChI: InChI=1S/C9H4O6/c10-4-1-3-7(6(12)2-5(4)11)9(14)15-8(3)13/h1-2,12H,(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.3