4-(3-azaniumylpropylsulfamoyl)-2-nitro-phenolate

Systemtic Name: 4-(3-azaniumylpropylsulfamoyl)-2-nitro-phenolate Openeye Name: 4-(3-azaniumylpropylsulfamoyl)-2-nitro-phenolate CAS Name: 4-(3-ammoniopropylsulfamoyl)-2-nitrophenolate IUPAC Name: 4-(3-azaniumylpropylsulfamoyl)-2-nitrophenolate Traditional Name: 4-(3-ammoniopropylsulfamoyl)-2-nitro-phenolate Formula: C9H13N3O5S MolecularWeight: 275.28162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O5S/c10-4-1-5-11-18(16,17)7-2-3-9(13)8(6-7)12(14)15/h2-3,6,11,13H,1,4-5,10H2