Trisodium Hydrogen 4-[[5-[[4-Chloro-6-[(4-Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphonatophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
[CAS# 70865-25-7]

Identification

• Name: Trisodium Hydrogen 4-[[5-[[4-Chloro-6-[(4-Sulphonatophenyl)Amino]-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-[5-[[4-Chloro-6-[(4-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Trisodium 4-[5-[[4-Chloro-6-[(4-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Azo-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Trisodium 4-[5-[[4-Chloro-6-[(4-Sulfophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-5-Keto-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate
• Molecular Formula: C₂₅H₁₅ClN₉Na₃O₁₂S₃
• Molecular Weight: 834.05
• CAS Registry Number: 70865-25-7
• EINECS: 274-952-2
• SMILES: C5=C(N4N=C(C(N=NC1=CC(=CC=C1[S]([O-])(=O)=O)NC2=NC(=NC(=N2)NC3=CC=C([S](=O)(=O)O)C=C3)Cl)C4=O)C([O-])=O)C=CC(=C5)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C25H18ClN9O12S3.3Na/c26-23-29-24(27-12-1-6-15(7-2-12)48(39,40)41)31-25(30-23)28-13-3-10-18(50(45,46)47)17(11-13)32-33-19-20(22(37)38)34-35(21(19)36)14-4-8-16(9-5-14)49(42,43)44;;;/h1-11,19H,(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,27,28,29,30,31);;;/q;3*+1/p-3
• InChIKey: LRSKGDUMNPFUKU-UHFFFAOYSA-K