Trisodium 1-[5-[[4-[Bis[2-[(2-Chloroethyl)Sulphonyl]Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Methyl-3-Sulphonatophenyl]-4,5-Dihydro-5-Oxo-4-[(2-Sulphonatophenyl)Azo]-1H-Pyrazole-3-Carboxylate
[CAS# 94021-10-0]

Identification

• Name: Trisodium 1-[5-[[4-[Bis[2-[(2-Chloroethyl)Sulphonyl]Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Methyl-3-Sulphonatophenyl]-4,5-Dihydro-5-Oxo-4-[(2-Sulphonatophenyl)Azo]-1H-Pyrazole-3-Carboxylate
• Synonyms: Trisodium 1-[5-[[4-[Bis[2-(2-Chloroethylsulfonyl)Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Methyl-3-Sulfonato-Phenyl]-5-Oxo-4-(2-Sulfonatophenyl)Azo-4H-Pyrazole-3-Carboxylate; Trisodium 1-[5-[[4-[Bis[2-(2-Chloroethylsulfonyl)Ethyl]Amino]-6-Chloro-1
• Molecular Formula: C₂₈H₂₇Cl₃N₉Na₃O₁₃S₄
• Molecular Weight: 1001.14
• CAS Registry Number: 94021-10-0
• EINECS: 301-403-7
• SMILES: C2=C(NC1=NC(=NC(=N1)N(CC[S](=O)(=O)CCCl)CC[S](=O)(=O)CCCl)Cl)C=C([S]([O-])(=O)=O)C(=C2N4N=C(C(N=NC3=C([S]([O-])(=O)=O)C=CC=C3)C4=O)C([O-])=O)C.[Na+].[Na+].[Na+]
• InChI: 1S/C28H30Cl3N9O13S4.3Na/c1-16-19(40-24(41)22(23(38-40)25(42)43)37-36-18-4-2-3-5-20(18)56(48,49)50)14-17(15-21(16)57(51,52)53)32-27-33-26(31)34-28(35-27)39(8-12-54(44,45)10-6-29)9-13-55(46,47)11-7-30;;;/h2-5,14-15,22H,6-13H2,1H3,(H,42,43)(H,48,49,50)(H,51,
• InChIKey: OLBBDIXXVROMAA-UHFFFAOYSA-K