azanylidyneazanium; 3-[(4-sulfophenyl)diazenyl]benzenesulfonic acid; chloride

Systemtic Name: azanylidyneazanium; 3-[(4-sulfophenyl)diazenyl]benzenesulfonic acid; chloride Openeye Name: nitridoammonium; 3-(4-sulfophenyl)azobenzenesulfonic acid; chloride CAS Name: nitriloammonium; 3-(4-sulfophenyl)azobenzenesulfonic acid; chloride IUPAC Name: azanylidyneazanium; 3-[(4-sulfophenyl)diazenyl]benzenesulfonic acid; chloride Traditional Name: nitriloammonium; 3-(4-sulfophenyl)azobesylic acid; chloride Formula: C12H11ClN4O6S2 MolecularWeight: 406.82194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O6S2.ClH.N2/c15-21(16,17)11-6-4-9(5-7-11)13-14-10-2-1-3-12(8-10)22(18,19)20;;1-2/h1-8H,(H,15,16,17)(H,18,19,20);1H;