4,5-Dihydro-4-[[2-Methoxy-5-Methyl-4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Azo]-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
[CAS# 21016-00-2]

Identification

• Name: 4,5-Dihydro-4-[[2-Methoxy-5-Methyl-4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Azo]-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
• Synonyms: 4-[2-Methoxy-5-Methyl-4-(2-Sulfooxyethylsulfonyl)Phenyl]Azo-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid; 5-Keto-4-[2-Methoxy-5-Methyl-4-(2-Sulfoxyethylsulfonyl)Phenyl]Azo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid
• Molecular Formula: C₂₀H₂₀N₄O₁₃S₃
• Molecular Weight: 620.58
• CAS Registry Number: 21016-00-2
• EINECS: 244-146-5
• SMILES: C1=C(C(=CC(=C1[S](CCO[S](=O)(=O)O)(=O)=O)C)N=NC2C(=NN(C2=O)C3=CC=C([S](=O)(=O)O)C=C3)C(=O)O)OC
• InChI: 1S/C20H20N4O13S3/c1-11-9-14(15(36-2)10-16(11)38(28,29)8-7-37-40(33,34)35)21-22-17-18(20(26)27)23-24(19(17)25)12-3-5-13(6-4-12)39(30,31)32/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35)
• InChIKey: XWBRDSPQNJLYFS-UHFFFAOYSA-N