Molecule ID: 6993342

IUPAC Name: (4-nitrophenyl) sulfate

Description: The molecule is an aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 4-nitrophenyl hydrogen sulfate. The major microspecies at pH 7.3. It derives from a 4-nitrophenol. It is a conjugate base of a 4-nitrophenyl hydrogen sulfate.

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

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

InChI: InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 1.0