5-Hydroxy-4-[[5-[[4-[5-Hydroxy-3-Methyl-4-[[2-Sulfo-5-[(2,5,6-Trichloro-4-Pyrimidinyl)Amino]Phenyl]Azo]-1H-Pyrazol-1-Yl]Benzoyl]Amino]-2-Sulfophenyl]Azo]-1-(4-Sulfophenyl)-1H-Pyrazole-3-Carboxylic Acid Tetrasodium Salt
[CAS# 70210-12-7]

Identification

• Name: 5-Hydroxy-4-[[5-[[4-[5-Hydroxy-3-Methyl-4-[[2-Sulfo-5-[(2,5,6-Trichloro-4-Pyrimidinyl)Amino]Phenyl]Azo]-1H-Pyrazol-1-Yl]Benzoyl]Amino]-2-Sulfophenyl]Azo]-1-(4-Sulfophenyl)-1H-Pyrazole-3-Carboxylic Acid Tetrasodium Salt
• Synonyms: Tetrasodium 4-[5-[[4-[3-Methyl-5-Oxo-4-[2-Sulfonato-5-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Azo-4H-Pyrazol-1-Yl]Benzoyl]Amino]-2-Sulfonato-Phenyl]Azo-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Tetrasodium 4-[5-[[[4-[3-Methyl-5-Oxo-4-[2-Sulfonato-5-[(2,5,6-Trichloro-4-Pyrimidinyl)Amino]Phenyl]Azo-4H-Pyrazol-1-Yl]Phenyl]-Oxomethyl]Amino]-2-Sulfonatophenyl]Azo-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Tetrasodium 5-Keto-4-[5-[[4-[5-Keto-3-Methyl-4-[2-Sulfonato-5-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Azo-4H-Pyrazol-1-Yl]Benzoyl]Amino]-2-Sulfonato-Phenyl]Azo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate
• Molecular Formula: C₃₇H₂₁Cl₃N₁₂Na₄O₁₄S₃
• Molecular Weight: 1152.14
• CAS Registry Number: 70210-12-7
• EINECS: 274-408-4
• SMILES: C7=C(N6N=C(C(N=NC1=CC(=CC=C1[S]([O-])(=O)=O)NC(=O)C5=CC=C(N4N=C(C(N=NC2=CC(=CC=C2[S]([O-])(=O)=O)NC3=NC(=NC(=C3Cl)Cl)Cl)C4=O)C)C=C5)C6=O)C([O-])=O)C=CC(=C7)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C37H25Cl3N12O14S3.4Na/c1-16-28(47-45-23-14-18(4-12-25(23)68(61,62)63)41-32-27(38)31(39)43-37(40)44-32)34(54)51(49-16)20-6-2-17(3-7-20)33(53)42-19-5-13-26(69(64,65)66)24(15-19)46-48-29-30(36(56)57)50-52(35(29)55)21-8-10-22(11-9-21)67(58,59)60;;;;/h2-15,28-29H,1H3,(H,42,53)(H,56,57)(H,41,43,44)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4
• InChIKey: XIXZXVKCIZGDOM-UHFFFAOYSA-J