Trisodium 5-[(4-chloro-6-{[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]amino}-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methylphenyl)diazenyl]-2,7-naphthalenedisulfonate
[CAS# 85650-61-9]

Identification

• Name: Trisodium 5-[(4-chloro-6-{[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]amino}-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methylphenyl)diazenyl]-2,7-naphthalenedisulfonate
• Synonyms: trisodium 5-[[4-chloro-6-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(p-tolyl)azo]naphthalene-2,7-disulphonate
• Molecular Formula: C₃₄H₂₂ClN₈Na₃O₁₀S₄
• Molecular Weight: 935.27
• CAS Registry Number: 85650-61-9
• EINECS: 288-070-0
• SMILES: [Na+].[Na+].[Na+].Cc1ccc(cc1)N=Nc2c(O)c7c(cc2S([O-])(=O)=O)cc(cc7Nc3nc(nc(Cl)n3)Nc4ccc(cc4)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)S([O-])(=O)=O
• InChI: 1S/C34H25ClN8O10S4.3Na/c1-16-3-8-21(9-4-16)42-43-27-25(56(48,49)50)14-19-13-22(55(45,46)47)15-24(26(19)28(27)44)38-34-40-32(35)39-33(41-34)36-20-10-6-18(7-11-20)31-37-23-12-5-17(2)30(29(23)54-31)57(51,52)53;;;/h3-15,44H,1-2H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,36,38,39,40,41);;;/q;3*+1/p-3
• InChIKey: SHZOIXHRIIIBKW-UHFFFAOYSA-K