2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonic acid hydrochloride

Systemtic Name: 2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonic acid hydrochloride Openeye Name: 2-(4-aminoanilino)-5-nitro-benzenesulfonic acid hydrochloride CAS Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid hydrochloride IUPAC Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid hydrochloride Traditional Name: 2-(4-aminoanilino)-5-nitro-besylic acid hydrochloride Formula: C12H12ClN3O5S MolecularWeight: 345.75878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.Cl

Isomeric SMILES

C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.Cl

InChI

InChI=1S/C12H11N3O5S.ClH/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20;/h1-7,14H,13H2,(H,18,19,20);1H