3-[[2,4-bis(azanyl)-5-methyl-phenyl]diazenyl]-2-methyl-benzenesulfonic acid; sodium

Systemtic Name: 3-[[2,4-bis(azanyl)-5-methyl-phenyl]diazenyl]-2-methyl-benzenesulfonic acid; sodium Openeye Name: 3-(2,4-diamino-5-methyl-phenyl)azo-2-methyl-benzenesulfonic acid; sodium CAS Name: 3-(2,4-diamino-5-methylphenyl)azo-2-methylbenzenesulfonic acid; sodium IUPAC Name: 3-[(2,4-diamino-5-methylphenyl)diazenyl]-2-methylbenzenesulfonic acid; sodium Traditional Name: 3-(2,4-diamino-5-methyl-phenyl)azo-2-methyl-besylic acid; sodium Formula: C14H16N4NaO3S MolecularWeight: 343.35661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S.Na/c1-8-6-13(11(16)7-10(8)15)18-17-12-4-3-5-14(9(12)2)22(19,20)21;/h3-7H,15-16H2,1-2H3,(H,19,20,21);