Molecule ID: 5312117

IUPAC Name: 2,4-dihydroxybenzenesulfonic acid

Description: The molecule is a dihydroxybenzenesulfonic acid that is resorcinol in which a hydrogen para- to one of the hydroxy groups is replaced by a sulfonic acid group. It has a role as a metabolite. It derives from a resorcinol.

SMILES: O=S(=O)(O)c1ccc(O)cc1O

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O]

InChI: InChI=1S/C6H6O5S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: -0.1