4-[4-[[2,5-Dimethoxy-4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Azo]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonic Acid, Sodium Salt
[CAS# 62121-76-0]

Identification

• Name: 4-[4-[[2,5-Dimethoxy-4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Azo]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonic Acid, Sodium Salt
• Synonyms: Disodium 4-[4-[2,5-Dimethoxy-4-(2-Sulfonatooxyethylsulfonyl)Phenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Disodium 4-[4-[2,5-Dimethoxy-4-(2-Sulfatoethylsulfonyl)Phenyl]Azo-5-Keto-3-Methyl-4H-Pyrazol-1-Yl]Benzenesulfonate; 4-(4-((2,5-Dimethoxy-4-((2-(Sulphooxy)Ethyl)Sulphonyl)Phenyl)Azo)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl)Benzenesulphonic Acid, Sodium Salt
• Molecular Formula: C₂₀H₂₀N₄Na₂O₁₂S₃
• Molecular Weight: 650.56
• CAS Registry Number: 62121-76-0
• EINECS: 263-418-4
• SMILES: C1=C(OC)C(=CC(=C1[S](=O)(=O)CCO[S]([O-])(=O)=O)OC)N=NC2C(=O)N(N=C2C)C3=CC=C([S]([O-])(=O)=O)C=C3.[Na+].[Na+]
• InChI: 1S/C20H22N4O12S3.2Na/c1-12-19(20(25)24(23-12)13-4-6-14(7-5-13)38(28,29)30)22-21-15-10-17(35-3)18(11-16(15)34-2)37(26,27)9-8-36-39(31,32)33;;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
• InChIKey: JDPMQBDNRSLOKS-UHFFFAOYSA-L