5-[[4-[Bis[2-[(2-Chloroethyl)Sulphonyl]Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(2-Sulphophenyl)Azo]Naphthalene-2,7-Disulphonic Acid, Potassium Sodium Salt
[CAS# 85554-62-7]

Identification

• Name: 5-[[4-[Bis[2-[(2-Chloroethyl)Sulphonyl]Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(2-Sulphophenyl)Azo]Naphthalene-2,7-Disulphonic Acid, Potassium Sodium Salt
• Synonyms: Potassium Disodium (3Z)-5-[[4-[Bis[2-(2-Chloroethylsulfonyl)Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate; Potassium Disodium (3Z)-5-[[4-[Bis[2-(2-Chloroethylsulfonyl)Ethyl]Amino]-6-Chloro-S-Triazin-2-Yl]Amino]-4-Keto-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₇H₂₅Cl₃KN₇Na₂O₁₄S₅
• Molecular Weight: 1023.27
• CAS Registry Number: 85554-62-7
• EINECS: 287-594-7
• SMILES: C2=C(NC1=NC(=NC(=N1)Cl)N(CC[S](=O)(=O)CCCl)CC[S](=O)(=O)CCCl)C4=C(C=C2[S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)C(=N/NC3=CC=CC=C3[S]([O-])(=O)=O)\C4=O.[Na+].[K+].[Na+]
• InChI: 1S/C27H28Cl3N7O14S5.K.2Na/c28-5-9-52(39,40)11-7-37(8-12-53(41,42)10-6-29)27-33-25(30)32-26(34-27)31-19-15-17(54(43,44)45)13-16-14-21(56(49,50)51)23(24(38)22(16)19)36-35-18-3-1-2-4-20(18)55(46,47)48;;;/h1-4,13-15,35H,5-12H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,31,32,33,34);;;/q;3*+1/p-3/b36-23+
• InChIKey: UQWCVIVEUXFBHG-JKYKCDKVSA-K