Trisodium 2-Chloro-5-[[4,5-Dihydro-3-Methyl-5-Oxo-1-[4-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]-1H-Pyrazol-4-Yl]Azo]-4-Sulphonatobenzoate
[CAS# 12769-09-4]

Identification

• Name: Trisodium 2-Chloro-5-[[4,5-Dihydro-3-Methyl-5-Oxo-1-[4-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]-1H-Pyrazol-4-Yl]Azo]-4-Sulphonatobenzoate
• Synonyms: Trisodium 2-Chloro-5-[[3-Methyl-5-Oxo-1-[4-(2-Sulfonatooxyethylsulfonyl)Phenyl]-4H-Pyrazol-4-Yl]Azo]-4-Sulfonato-Benzoate; Trisodium 2-Chloro-5-[[3-Methyl-5-Oxo-1-[4-(2-Sulfonatooxyethylsulfonyl)Phenyl]-4H-Pyrazol-4-Yl]Azo]-4-Sulfonatobenzoate; Trisodium 2-Chloro-5-[[5-Keto-3-Methyl-1-[4-(2-Sulfatoethylsulfonyl)Phenyl]-4H-Pyrazol-4-Yl]Azo]-4-Sulfonato-Benzoate
• Molecular Formula: C₁₉H₁₄ClN₄Na₃O₁₂S₃
• Molecular Weight: 690.94
• CAS Registry Number: 12769-09-4
• EINECS: 235-808-4
• SMILES: C1=C(C(=CC(=C1N=NC2C(=O)N(N=C2C)C3=CC=C([S](=O)(=O)CCO[S]([O-])(=O)=O)C=C3)[S]([O-])(=O)=O)Cl)C([O-])=O.[Na+].[Na+].[Na+]
• InChI: 1S/C19H17ClN4O12S3.3Na/c1-10-17(22-21-15-8-13(19(26)27)14(20)9-16(15)38(30,31)32)18(25)24(23-10)11-2-4-12(5-3-11)37(28,29)7-6-36-39(33,34)35;;;/h2-5,8-9,17H,6-7H2,1H3,(H,26,27)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3
• InChIKey: JVWFJQBGRJXMOM-UHFFFAOYSA-K