Molecule ID: 74426

IUPAC Name: phenyl hydrogen sulfate

Description: The molecule is an aryl sulfate that is phenol bearing an O-sulfo substituent. It has a role as a human xenobiotic metabolite. It derives from a phenol. It is a conjugate acid of a phenyl sulfate.

SMILES: O=S(=O)(O)Oc1ccccc1

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

InChI: InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 0.8