Molecule ID: 122198203

IUPAC Name: (2-methoxy-4-prop-1-enylphenyl) sulfate

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

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

SELFIES: [C][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/C10H12O5S/c1-3-4-8-5-6-9(10(7-8)14-2)15-16(11,12)13/h3-7H,1-2H3,(H,11,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 84.0 Ų
- LogP: 1.9