4-(2-azanylethyl)-3-nitro-benzenesulfonic acid; sodium

Systemtic Name: 4-(2-azanylethyl)-3-nitro-benzenesulfonic acid; sodium Openeye Name: 4-(2-aminoethyl)-3-nitro-benzenesulfonic acid; sodium CAS Name: 4-(2-aminoethyl)-3-nitrobenzenesulfonic acid; sodium IUPAC Name: 4-(2-aminoethyl)-3-nitrobenzenesulfonic acid; sodium Traditional Name: 4-(2-aminoethyl)-3-nitro-besylic acid; sodium Formula: C8H10N2NaO5S MolecularWeight: 269.23017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2O5S.Na/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);