Molecule ID: 122164841

IUPAC Name: (3-hydroxy-2-methoxyphenyl) sulfate

Description: The molecule is a phenyl sulfate oxoanion that is the conjugate base of 2-methoxyresorcinol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It has a role as a human blood serum metabolite. It is a conjugate base of a 2-methoxyresorcinol sulfate.

SMILES: COc1c([O-])cccc1OS(=O)(=O)O

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

InChI: InChI=1S/C7H8O6S/c1-12-7-5(8)3-2-4-6(7)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.5