Molecule ID: 6426766

IUPAC Name: (4-ethenylphenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is 4-hydroxystyrene in which the hydroxy group has been replaced by a sulfooxy group. It has a role as a human xenobiotic metabolite. It is an aryl sulfate and a member of styrenes. It derives from a 4-hydroxystyrene. It is a conjugate acid of a 4-vinylphenol sulfate(1-).

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][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)

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