Molecule ID: 121596223

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

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

SMILES: C=CCc1ccc(OS(=O)(=O)[O-])cc1

SELFIES: [C][=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/C9H10O4S/c1-2-3-8-4-6-9(7-5-8)13-14(10,11)12/h2,4-7H,1,3H2,(H,10,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 2.0