2-(3-azanylpropylamino)-5-nitro-benzenesulfonic acid

Systemtic Name: 2-(3-azanylpropylamino)-5-nitro-benzenesulfonic acid Openeye Name: 2-(3-aminopropylamino)-5-nitro-benzenesulfonic acid CAS Name: 2-(3-aminopropylamino)-5-nitrobenzenesulfonic acid IUPAC Name: 2-(3-aminopropylamino)-5-nitrobenzenesulfonic acid Traditional Name: 2-(3-aminopropylamino)-5-nitro-besylic acid Formula: C9H13N3O5S MolecularWeight: 275.28162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)NCCCN

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)NCCCN

InChI

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