Molecule ID: 20822573

IUPAC Name: (4-ethylphenyl) sulfate

Description: The molecule is a phenyl sulfate oxoanion that is the conjugate base of 4-ethylphenyl sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3. It has a role as a human metabolite, a uremic toxin and a gut flora metabolite. It is a tautomer of a 4-ethylphenyl sulfate.

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-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 1.7