azanium 3-nitrobenzenesulfonate

Systemtic Name: azanium 3-nitrobenzenesulfonate Openeye Name: ammonium 3-nitrobenzenesulfonate CAS Name: ammonium 3-nitrobenzenesulfonate IUPAC Name: azanium 3-nitrobenzenesulfonate Traditional Name: ammonium 3-nitrobesylate Formula: C6H8N2O5S MolecularWeight: 220.20312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[NH4+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[NH4+]

InChI

InChI=1S/C6H5NO5S.H3N/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);1H3