Trisodium 3-[2-Acetamido-4-[[4-Chloro-6-[4-(2-Sulfooxyethylsulfonyl)Anilino]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azonaphthalene-1,5-Disulfonate
[CAS# 215612-56-9]

Identification

• Name: Trisodium 3-[2-Acetamido-4-[[4-Chloro-6-[4-(2-Sulfooxyethylsulfonyl)Anilino]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azonaphthalene-1,5-Disulfonate
• Synonyms: 1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt
• Molecular Formula: C₂₉H₂₃ClN₈Na₃O₁₃S₄
• Molecular Weight: 924.22
• CAS Registry Number: 215612-56-9
• SMILES: CC(=O)Nc1cc(ccc1N=Nc2cc3c(cccc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])Nc4nc(nc(n4)Cl)Nc5ccc(cc5)S(=O)(=O)CCOS(=O)(=O)O.[Na+].[Na+].[Na+]
• InChI: 1S/C29H25ClN8O13S4.3Na/c1-16(39)31-24-14-18(7-10-23(24)38-37-19-13-22-21(26(15-19)54(45,46)47)3-2-4-25(22)53(42,43)44)33-29-35-27(30)34-28(36-29)32-17-5-8-20(9-6-17)52(40,41)12-11-51-55(48,49)50;;;/h2-10,13-15H,11-12H2,1H3,(H,31,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36);;;/q;3*+1/p-2
• InChIKey: ZJXMPGWEPZPNRN-UHFFFAOYSA-L

Properties

• Refractive index: (Cal.)