Trisodium 4-[(2,4-dihydroxy-3-{[4-(6-methyl-7-sulfonato-2,6'-bi-1,3-benzothiazol-2'-yl)phenyl]diazenyl}phenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonate
[CAS# 93940-05-7]

Identification

• Name: Trisodium 4-[(2,4-dihydroxy-3-{[4-(6-methyl-7-sulfonato-2,6'-bi-1,3-benzothiazol-2'-yl)phenyl]diazenyl}phenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonate
• Synonyms: trisodium 4-[[2,4-dihydroxy-3-[[4-(6-methyl-7-sulphonato[2,6'-bibenzothiazol]-2'-yl)phenyl]azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate
• Molecular Formula: C₃₇H₂₁N₆Na₃O₁₂S₅
• Molecular Weight: 970.89
• CAS Registry Number: 93940-05-7
• EINECS: 300-397-3
• SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c8c(c1)cc(cc8N=Nc7ccc(O)c(N=Nc2ccc(cc2)c3nc4ccc(cc4s3)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)c7O)S([O-])(=O)=O
• InChI: 1S/C37H24N6O12S5.3Na/c1-17-2-8-26-34(35(17)60(53,54)55)57-37(39-26)19-5-9-24-30(14-19)56-36(38-24)18-3-6-21(7-4-18)40-43-32-28(44)11-10-25(33(32)46)41-42-27-15-22(58(47,48)49)12-20-13-23(59(50,51)52)16-29(45)31(20)27;;;/h2-16,44-46H,1H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3
• InChIKey: CKKAWZBUXZELMJ-UHFFFAOYSA-K