Trisodium 4-[[4-[[6-(3-Tert-Butylphenoxy)-4-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulphonatophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
[CAS# 85136-27-2]

Identification

• Name: Trisodium 4-[[4-[[6-(3-Tert-Butylphenoxy)-4-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulphonatophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
• Synonyms: Trisodium 4-[4-[[4-(3-Tert-Butylphenoxy)-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Trisodium 4-[4-[[4-(3-Tert-Butylphenoxy)-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Azo-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Trisodium 4-[4-[[4-(3-Tert-Butylphenoxy)-6-Chloro-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-5-Keto-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate
• Molecular Formula: C₂₉H₂₂ClN₈Na₃O₁₀S₂
• Molecular Weight: 811.08
• CAS Registry Number: 85136-27-2
• EINECS: 285-751-4
• SMILES: C5=C(N4N=C(C(N=NC3=C([S]([O-])(=O)=O)C=C(NC1=NC(=NC(=N1)Cl)OC2=CC(=CC=C2)C(C)(C)C)C=C3)C4=O)C([O-])=O)C=CC(=C5)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C29H25ClN8O10S2.3Na/c1-29(2,3)15-5-4-6-18(13-15)48-28-33-26(30)32-27(34-28)31-16-7-12-20(21(14-16)50(45,46)47)35-36-22-23(25(40)41)37-38(24(22)39)17-8-10-19(11-9-17)49(42,43)44;;;/h4-14,22H,1-3H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,31,32,33,34);;;/q;3*+1/p-3
• InChIKey: OJWJUULVVCBILW-UHFFFAOYSA-K