Molecule ID: 122198220

IUPAC Name: (4-propoxycarbonylphenyl) sulfate

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

SMILES: CCCOC(=O)c1ccc(OS(=O)(=O)[O-])cc1

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

InChI: InChI=1S/C10H12O6S/c1-2-7-15-10(11)8-3-5-9(6-4-8)16-17(12,13)14/h3-6H,2,7H2,1H3,(H,12,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 2.4