sodium 2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonate

Systemtic Name: sodium 2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonate Openeye Name: sodium 2-(4-aminoanilino)-5-nitro-benzenesulfonate CAS Name: sodium 2-(4-aminoanilino)-5-nitrobenzenesulfonate IUPAC Name: sodium 2-(4-aminoanilino)-5-nitrobenzenesulfonate Traditional Name: sodium 2-(4-aminoanilino)-5-nitro-besylate Formula: C12H10N3NaO5S MolecularWeight: 331.27967

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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-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5S.Na/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);/q;+1/p-1