sodium 4-[[2,4-bis(azanyl)-5-methyl-3-phenyldiazenyl-phenyl]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[[2,4-bis(azanyl)-5-methyl-3-phenyldiazenyl-phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 4-(2,4-diamino-5-methyl-3-phenylazo-phenyl)azobenzenesulfonate CAS Name: sodium 4-(2,4-diamino-5-methyl-3-phenyldiazenylphenyl)azobenzenesulfonate IUPAC Name: sodium 4-[(2,4-diamino-5-methyl-3-phenyldiazenylphenyl)diazenyl]benzenesulfonate Traditional Name: sodium 4-(2,4-diamino-5-methyl-3-phenylazo-phenyl)azobesylate Formula: C19H17N6NaO3S MolecularWeight: 432.43145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N)N=NC2=CC=CC=C2)N)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1N)N=NC2=CC=CC=C2)N)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H18N6O3S.Na/c1-12-11-16(24-22-14-7-9-15(10-8-14)29(26,27)28)18(21)19(17(12)20)25-23-13-5-3-2-4-6-13;/h2-11H,20-21H2,1H3,(H,26,27,28);/q;+1/p-1