4-(2-azanylethyl)-3-nitro-benzenesulfonate

Systemtic Name: 4-(2-azanylethyl)-3-nitro-benzenesulfonate Openeye Name: 4-(2-aminoethyl)-3-nitro-benzenesulfonate CAS Name: 4-(2-aminoethyl)-3-nitrobenzenesulfonate IUPAC Name: 4-(2-aminoethyl)-3-nitrobenzenesulfonate Traditional Name: 4-(2-aminoethyl)-3-nitro-besylate Formula: C8H9N2O5S- MolecularWeight: 245.23246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2O5S/c9-4-3-6-1-2-7(16(13,14)15)5-8(6)10(11)12/h1-2,5H,3-4,9H2,(H,13,14,15)/p-1