4,5-Dihydro-5-Oxo-4-[[4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Azo]-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
[CAS# 10149-98-1]

Identification

• Name: 4,5-Dihydro-5-Oxo-4-[[4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Azo]-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
• Synonyms: 5-Oxo-4-[4-(2-Sulfooxyethylsulfonyl)Phenyl]Azo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid; 5-Keto-1-(4-Sulfophenyl)-4-[4-(2-Sulfoxyethylsulfonyl)Phenyl]Azo-4H-Pyrazole-3-Carboxylic Acid; 4,5-Dihydro-5-Oxo-4-((4-((2-(Sulphooxy)Ethyl)Sulphonyl)Phenyl)Azo)-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
• Molecular Formula: C₁₈H₁₆N₄O₁₂S₃
• Molecular Weight: 576.52
• CAS Registry Number: 10149-98-1
• EINECS: 233-418-9
• SMILES: C1=CC(=CC=C1N2N=C(C(=O)O)C(C2=O)N=NC3=CC=C(C=C3)[S](=O)(=O)CCO[S](=O)(=O)O)[S](=O)(=O)O
• InChI: 1S/C18H16N4O12S3/c23-17-15(16(18(24)25)21-22(17)12-3-7-14(8-4-12)36(28,29)30)20-19-11-1-5-13(6-2-11)35(26,27)10-9-34-37(31,32)33/h1-8,15H,9-10H2,(H,24,25)(H,28,29,30)(H,31,32,33)
• InChIKey: ZDISUHHECSVSMD-UHFFFAOYSA-N

Properties

• Density: 1.83g/cm³ (Cal.)