Molecule ID: 18757047

IUPAC Name: (4-ethenylphenyl) sulfate

Description: The molecule is a phenyl sulfate oxoanion that is the conjugate base of 4-vinylphenol sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate base of a 4-vinylphenol sulfate.

SMILES: C=Cc1ccc(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/C8H8O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h2-6H,1H2,(H,9,10,11)/p-1

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