Molecule ID: 4874

IUPAC Name: 4-hydroxy-3-methoxybenzenesulfonic acid

Description: The molecule is an arenesulfonic acid that is guaiacol sulfated at position 4. Commonly used (in the form of its potassium salt) as an expectorant. It has a role as an expectorant. It is an arenesulfonic acid and a member of guaiacols. It derives from a guaiacol. It is a conjugate acid of a 4-hydroxy-3-methoxybenzene-1-sulfonate.

SMILES: COc1cc(S(=O)(=O)O)ccc1O

SELFIES: [C][O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][O]

InChI: InChI=1S/C7H8O5S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4,8H,1H3,(H,9,10,11)

Molecular Properties:
- Polar Surface Area: 92.2 Ų
- LogP: -0.4