Molecule ID: 86290012

IUPAC Name: (3-ethylphenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is ethylbenzene substituted by a sulfooxy group at position 3. It has a role as a human xenobiotic metabolite. It is an aryl sulfate and a member of benzenes.

SMILES: CCc1cccc(OS(=O)(=O)O)c1

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

InChI: InChI=1S/C8H10O4S/c1-2-7-4-3-5-8(6-7)12-13(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 1.7