Molecule ID: 161220

IUPAC Name: (4-hydroxyphenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is quinol (hydroquinone) with one of the two hydroxy groups substituted by a sulfo group. It has a role as a human xenobiotic metabolite and a marine xenobiotic metabolite. It is an aryl sulfate and a member of phenols. It derives from a hydroquinone. It is a conjugate acid of a quinol sulfate(1-).

SMILES: O=S(=O)(O)Oc1ccc(O)cc1

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

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

Molecular Properties:
- Polar Surface Area: 92.2 Ų
- LogP: 0.6