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

Systemtic Name: sodium 4-[[2,4-bis(azanyl)-5-methyl-phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 4-(2,4-diamino-5-methyl-phenyl)azobenzenesulfonate CAS Name: sodium 4-(2,4-diamino-5-methylphenyl)azobenzenesulfonate IUPAC Name: sodium 4-[(2,4-diamino-5-methylphenyl)diazenyl]benzenesulfonate Traditional Name: sodium 4-(2,4-diamino-5-methyl-phenyl)azobesylate Formula: C13H13N4NaO3S MolecularWeight: 328.32209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S.Na/c1-8-6-13(12(15)7-11(8)14)17-16-9-2-4-10(5-3-9)21(18,19)20;/h2-7H,14-15H2,1H3,(H,18,19,20);/q;+1/p-1