Molecule ID: 122164838

IUPAC Name: (4-methoxycarbonylphenyl) sulfate

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

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

SELFIES: [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/C8H8O6S/c1-13-8(9)6-2-4-7(5-3-6)14-15(10,11)12/h2-5H,1H3,(H,10,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.3