phenyl 4-[(6-azanyl-1,2-dimethyl-indazol-2-ium-7-yl)diazenyl]benzenesulfonate nitrate

Systemtic Name: phenyl 4-[(6-azanyl-1,2-dimethyl-indazol-2-ium-7-yl)diazenyl]benzenesulfonate nitrate Openeye Name: phenyl 4-(6-amino-1,2-dimethyl-indazol-2-ium-7-yl)azobenzenesulfonate nitrate CAS Name: 4-[(6-amino-1,2-dimethyl-7-indazol-2-iumyl)azo]benzenesulfonic acid phenyl ester nitrate IUPAC Name: phenyl 4-[(6-amino-1,2-dimethylindazol-2-ium-7-yl)diazenyl]benzenesulfonate nitrate Traditional Name: 4-(6-amino-1,2-dimethyl-indazol-2-ium-7-yl)azobenzenesulfonic acid phenyl ester nitrate Formula: C21H20N6O6S MolecularWeight: 484.4851

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)N)C=[N+]1C.[N+](=O)([O-])[O-]

Isomeric SMILES

CN1C2=C(C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)N)C=[N+]1C.[N+](=O)([O-])[O-]

InChI

InChI=1S/C21H19N5O3S.NO3/c1-25-14-15-8-13-19(22)20(21(15)26(25)2)24-23-16-9-11-18(12-10-16)30(27,28)29-17-6-4-3-5-7-17;2-1(3)4/h3-14,22H,1-2H3;/q;-1/p+1