Trisodium 2-[4-[[6-[[[[4-(Acetamido)Phenyl]Amino]Carbonyl]Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]-3-Sulphonatophenyl]-6-Methylbenzothiazole-7-Sulphonate
[CAS# 6417-31-8]

Identification

• Name: Trisodium 2-[4-[[6-[[[[4-(Acetamido)Phenyl]Amino]Carbonyl]Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]-3-Sulphonatophenyl]-6-Methylbenzothiazole-7-Sulphonate
• Synonyms: Trisodium 2-[4-[(N'z)-N'-[6-[(4-Acetamidophenyl)Carbamoylamino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]-3-Sulfonato-Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate; Trisodium 2-[4-[(N'z)-N'-[6-[[[(4-Acetamidophenyl)Amino]-Oxomethyl]Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]-3-Sulfonatophenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate; Trisodium 2-[4-[(N'z)-N'-[6-[(4-Acetamidophenyl)Carbamoylamino]-1-Keto-3-Sulfonato-2-Naphthylidene]Hydrazino]-3-Sulfonato-Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate
• Molecular Formula: C₃₃H₂₃N₆Na₃O₁₂S₄
• Molecular Weight: 892.79
• CAS Registry Number: 6417-31-8
• EINECS: 229-135-5
• SMILES: C3=C(C1=NC2=C(S1)C(=C(C=C2)C)[S]([O-])(=O)=O)C=CC(=C3[S]([O-])(=O)=O)N\N=C4/C(=CC5=C(C4=O)C=CC(=C5)NC(=O)NC6=CC=C(NC(=O)C)C=C6)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C33H26N6O12S4.3Na/c1-16-3-11-25-30(31(16)55(49,50)51)52-32(37-25)18-4-12-24(26(14-18)53(43,44)45)38-39-28-27(54(46,47)48)15-19-13-22(9-10-23(19)29(28)41)36-33(42)35-21-7-5-20(6-8-21)34-17(2)40;;;/h3-15,38H,1-2H3,(H,34,40)(H2,35,36,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-28+
• InChIKey: XJUBLSMRTIZPCO-SOZKIIJPSA-K