4-(2-azaniumylethylsulfamoyl)-2-nitro-phenolate

Systemtic Name: 4-(2-azaniumylethylsulfamoyl)-2-nitro-phenolate Openeye Name: 4-(2-azaniumylethylsulfamoyl)-2-nitro-phenolate CAS Name: 4-(2-ammonioethylsulfamoyl)-2-nitrophenolate IUPAC Name: 4-(2-azaniumylethylsulfamoyl)-2-nitrophenolate Traditional Name: 4-(2-ammonioethylsulfamoyl)-2-nitro-phenolate Formula: C8H11N3O5S MolecularWeight: 261.25504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCC[NH3+])[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCC[NH3+])[N+](=O)[O-])[O-]

InChI

InChI=1S/C8H11N3O5S/c9-3-4-10-17(15,16)6-1-2-8(12)7(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2