Tetrasodium 4-[4-[[4-chloro-6-[(3-sulfonatophenyl)amino]-s-triazin-2-yl]amino]-2-sulfonato-phenyl]azo-1-[3-[[4-chloro-6-[(3-sulfophenyl)amino]-s-triazin-2-yl]amino]-2-methyl-5-sulfonato-phenyl]-5-keto-4H-pyrazole-3-carboxylate
[CAS# 71113-18-3]

Identification

• Name: Tetrasodium 4-[4-[[4-chloro-6-[(3-sulfonatophenyl)amino]-s-triazin-2-yl]amino]-2-sulfonato-phenyl]azo-1-[3-[[4-chloro-6-[(3-sulfophenyl)amino]-s-triazin-2-yl]amino]-2-methyl-5-sulfonato-phenyl]-5-keto-4H-pyrazole-3-carboxylate
• Synonyms: Tetrasodium 4-[4-[[4-Chloro-6-[(3-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-1-[3-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Methyl-5-Sulfonato-Phenyl]-5-Oxo-4H-Pyrazole-3-Carboxylate; Tetrasodium 4-[4-[[4-Chloro-6-[(3-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Azo-1-[3-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Methyl-5-Sulfonatophenyl]-5-Oxo-4H-Pyrazole-3-Carboxylate; Tetrasodium 4-[4-[[4-Chloro-6-[(3-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-1-[3-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Methyl-5-Sulfonato-Phenyl]-5-Keto-4H-Pyrazole-3-Carboxylate
• Molecular Formula: C₃₅H₂₂Cl₂N₁₄Na₄O₁₅S₄
• Molecular Weight: 1169.75
• CAS Registry Number: 71113-18-3
• EINECS: 275-197-1
• SMILES: C7=C(N4N=C(C(N=NC3=CC=C(NC1=NC(=NC(=N1)NC2=CC=CC(=C2)[S]([O-])(=O)=O)Cl)C=C3[S]([O-])(=O)=O)C4=O)C([O-])=O)C(=C(NC5=NC(=NC(=N5)NC6=CC=CC(=C6)[S](=O)(=O)O)Cl)C=C7[S]([O-])(=O)=O)C.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C35H26Cl2N14O15S4.4Na/c1-15-23(41-35-45-31(37)44-33(47-35)39-17-5-3-7-20(11-17)68(58,59)60)13-21(69(61,62)63)14-24(15)51-28(52)26(27(50-51)29(53)54)49-48-22-9-8-18(12-25(22)70(64,65)66)40-34-43-30(36)42-32(46-34)38-16-4-2-6-19(10-16)67(55,56)57;;;;/h2-14,26H,1H3,(H,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,38,40,42,43,46)(H2,39,41,44,45,47);;;;/q;4*+1/p-4
• InChIKey: LPEINYYLAYPWSP-UHFFFAOYSA-J