sodium; hydrogen sulfate; 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diamine

Systemtic Name: sodium; hydrogen sulfate; 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diamine Openeye Name: sodium; hydrogen sulfate; 4-(4-nitrophenyl)azobenzene-1,3-diamine CAS Name: sodium; hydrogen sulfate; 4-(4-nitrophenyl)azobenzene-1,3-diamine IUPAC Name: sodium; hydrogen sulfate; 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diamine Traditional Name: sodium [3-amino-4-(4-nitrophenyl)azo-phenyl]amine bisulfate Formula: C12H12N5NaO6S MolecularWeight: 377.30835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O2.Na.H2O4S/c13-8-1-6-12(11(14)7-8)16-15-9-2-4-10(5-3-9)17(18)19;;1-5(2,3)4/h1-7H,13-14H2;;(H2,1,2,3,4)/q;+1;/p-1