Molecule ID: 122198219

IUPAC Name: (4-ethoxycarbonylphenyl) sulfate

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

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

SELFIES: [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/C9H10O6S/c1-2-14-9(10)7-3-5-8(6-4-7)15-16(11,12)13/h3-6H,2H2,1H3,(H,11,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.8