Trisodium 4-[[5-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulphonatophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
[CAS# 70900-45-7]

Identification

• Name: Trisodium 4-[[5-[(4,6-Dichloro-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-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulfonato-Phenyl]Azo-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Trisodium 4-[5-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulfonatophenyl]Azo-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Trisodium 4-[5-[(4,6-Dichloro-S-Triazin-2-Yl)Amino]-2-Sulfonato-Phenyl]Azo-5-Keto-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate
• Molecular Formula: C₁₉H₉Cl₂N₈Na₃O₉S₂
• Molecular Weight: 697.32
• CAS Registry Number: 70900-45-7
• EINECS: 275-012-4
• SMILES: C4=C(N3N=C(C(N=NC1=CC(=CC=C1[S]([O-])(=O)=O)NC2=NC(=NC(=N2)Cl)Cl)C3=O)C([O-])=O)C=CC(=C4)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C19H12Cl2N8O9S2.3Na/c20-17-23-18(21)25-19(24-17)22-8-1-6-12(40(36,37)38)11(7-8)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35;;;/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;/q;3*+1/p-3
• InChIKey: MDDBJWMJDPVHEL-UHFFFAOYSA-K