5-[[4-[Bis[2-[(2-Chloroethyl)Sulfonyl]Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(2-Sulfophenyl)Azo]-2,7-Naphthalenedisulfonic Acid
[CAS# 65180-72-5]

Identification

• Name: 5-[[4-[Bis[2-[(2-Chloroethyl)Sulfonyl]Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(2-Sulfophenyl)Azo]-2,7-Naphthalenedisulfonic Acid
• Synonyms: (3E)-5-[[4-[Bis[2-(2-Chloroethylsulfonyl)Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-4-Oxo-3-[(4-Sulfophenyl)Hydrazono]Naphthalene-2,7-Disulfonic Acid; (3E)-5-[[4-[Bis[2-(2-Chloroethylsulfonyl)Ethyl]Amino]-6-Chloro-S-Triazin-2-Yl]Amino]-4-Keto-3-[(4-Sulfophenyl)Hydrazono]Naphthalene-2,7-Disulfonic Acid; 2,7-Naphthalenedisulfonic Acid, 5-((4-(Bis(2-((2-Chloroethyl)Sulfonyl)Ethyl)Amino)-6-Chloro-1,3,5-Triazin-2-Yl)Amino)-4-Hydroxy-3-((2-Sulfophenyl)Azo)-
• Molecular Formula: C₂₇H₂₈Cl₃N₇O₁₄S₅
• Molecular Weight: 941.22
• CAS Registry Number: 65180-72-5
• 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=C([S](O)(=O)=O)C=C3)/C4=O
• InChI: 1S/C27H28Cl3N7O14S5/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)31-20-15-19(55(46,47)48)13-16-14-21(56(49,50)51)23(24(38)22(16)20)36-35-17-1-3-18(4-2-17)54(43,44)45/h1-4,13-15,35H,5-12H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,31,32,33,34)/b36-23-
• InChIKey: DMDDCPLATACWMW-GMEAVFFOSA-N