Molecule ID: 20822574

IUPAC Name: (4-ethylphenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is 4-ethylphenol in which the hydroxy group has been replaced by a sulfooxy group. It has a role as a human metabolite, a uremic toxin and a gut flora metabolite. It is an aryl sulfate and a member of benzenes. It derives from a 4-ethylphenol. It is a tautomer of a 4-ethylphenyl sulfate(1-).

SMILES: CCc1ccc(OS(=O)(=O)O)cc1

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

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

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 1.8