azanium 5-azanyl-2-(4-azanyl-2-sulfonato-phenyl)benzenesulfonate

Systemtic Name: azanium 5-azanyl-2-(4-azanyl-2-sulfonato-phenyl)benzenesulfonate Openeye Name: ammonium 5-amino-2-(4-amino-2-sulfonato-phenyl)benzenesulfonate CAS Name: ammonium 5-amino-2-(4-amino-2-sulfonatophenyl)benzenesulfonate IUPAC Name: azanium 5-amino-2-(4-amino-2-sulfonatophenyl)benzenesulfonate Traditional Name: ammonium 5-amino-2-(4-amino-2-sulfonato-phenyl)besylate Formula: C12H14N3O6S2- MolecularWeight: 360.38606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)[O-])C2=C(C=C(C=C2)N)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)[O-])C2=C(C=C(C=C2)N)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C12H12N2O6S2.H3N/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20;/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20);1H3/p-1