Trisodium 2-[[4,5-Dihydro-3-Methyl-5-Oxo-1-[4-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]-1H-Pyrazol-4-Yl]Azo]Naphthalene-1,5-Disulphonate
[CAS# 20298-05-9]

Identification

• Name: Trisodium 2-[[4,5-Dihydro-3-Methyl-5-Oxo-1-[4-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]-1H-Pyrazol-4-Yl]Azo]Naphthalene-1,5-Disulphonate
• Synonyms: Trisodium 2-[[3-Methyl-5-Oxo-1-[4-(2-Sulfonatooxyethylsulfonyl)Phenyl]-4H-Pyrazol-4-Yl]Azo]Naphthalene-1,5-Disulfonate; Trisodium 2-[[5-Keto-3-Methyl-1-[4-(2-Sulfatoethylsulfonyl)Phenyl]-4H-Pyrazol-4-Yl]Azo]Naphthalene-1,5-Disulfonate
• Molecular Formula: C₂₂H₁₇N₄Na₃O₁₃S₄
• Molecular Weight: 742.60
• CAS Registry Number: 20298-05-9
• EINECS: 243-717-6
• SMILES: C1=CC(=C([S]([O-])(=O)=O)C2=C1C(=CC=C2)[S]([O-])(=O)=O)N=NC3C(=O)N(N=C3C)C4=CC=C([S](=O)(=O)CCO[S]([O-])(=O)=O)C=C4.[Na+].[Na+].[Na+]
• InChI: 1S/C22H20N4O13S4.3Na/c1-13-20(22(27)26(25-13)14-5-7-15(8-6-14)40(28,29)12-11-39-43(36,37)38)24-23-18-10-9-16-17(21(18)42(33,34)35)3-2-4-19(16)41(30,31)32;;;/h2-10,20H,11-12H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3
• InChIKey: LREIRMMFYVWEAF-UHFFFAOYSA-K