Molecule ID: 122164839

IUPAC Name: (4-ethenyl-2-methoxyphenyl) sulfate

Description: The molecule is a phenyl sulfate oxoanion that is the conjugate base of 4-vinylguaiacol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a 4-vinylguaiacol sulfate.

SMILES: C=Cc1ccc(OS(=O)(=O)[O-])c(OC)c1

SELFIES: [C][=C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][Branch1][Ring1][O][C][=C][Ring1][=N]

InChI: InChI=1S/C9H10O5S/c1-3-7-4-5-8(9(6-7)13-2)14-15(10,11)12/h3-6H,1H2,2H3,(H,10,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 84.0 Ų
- LogP: 1.6