[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl] sulfate

Systemtic Name: [4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl] sulfate Openeye Name: [4-(2-amino-3-hydroxy-3-oxo-propyl)phenyl] sulfate CAS Name: [4-(2-amino-3-hydroxy-3-oxopropyl)phenyl] sulfate IUPAC Name: [4-(2-amino-3-hydroxy-3-oxopropyl)phenyl] sulfate Traditional Name: [4-(2-amino-3-hydroxy-3-keto-propyl)phenyl] sulfate Formula: C9H10NO6S- MolecularWeight: 260.2438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)OS(=O)(=O)[O-]

InChI

InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/p-1