Trisodium 7-{[2-(Carbamoylamino)-4-{[4-Fluoro-6-({2-[2-(Vinylsulfonyl)Ethoxy]Ethyl}Amino)-1,3,5-Triazin-2-Yl]Amino}Phenyl]Diazenyl}-1,3,6-Naphthalenetrisulfonate
[CAS# 106359-91-5]

Identification

• Name: Trisodium 7-{[2-(Carbamoylamino)-4-{[4-Fluoro-6-({2-[2-(Vinylsulfonyl)Ethoxy]Ethyl}Amino)-1,3,5-Triazin-2-Yl]Amino}Phenyl]Diazenyl}-1,3,6-Naphthalenetrisulfonate
• Synonyms: 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt
• Molecular Formula: C₂₆H₂₃FN₉Na₃O₁₃S₄
• Molecular Weight: 885.74
• CAS Registry Number: 106359-91-5
• SMILES: C=CS(=O)(=O)CCOCCNc1nc(nc(n1)F)Nc2ccc(c(c2)NC(=O)N)N=Nc3cc4c(cc(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])cc3S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: 1S/C26H26FN9O13S4.3Na/c1-2-50(38,39)8-7-49-6-5-29-25-32-23(27)33-26(34-25)30-15-3-4-18(19(11-15)31-24(28)37)35-36-20-13-17-14(10-22(20)53(46,47)48)9-16(51(40,41)42)12-21(17)52(43,44)45;;;/h2-4,9-13H,1,5-8H2,(H3,28,31,37)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,29,30,32,33,34);;;/q;3*+1/p-3
• InChIKey: BTCMRMVIDXSNEW-UHFFFAOYSA-K

Properties

• Refractive index: (Cal.)