2-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazol-4-Yl]Azo]Benzoic Acid
[CAS# 54480-58-9]

Identification

• Name: 2-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazol-4-Yl]Azo]Benzoic Acid
• Synonyms: 2-[[3-Methyl-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazol-4-Yl]Azo]Benzoic Acid; 2-[[5-Keto-3-Methyl-1-(4-Sulfophenyl)-4H-Pyrazol-4-Yl]Azo]Benzoic Acid; 2-((4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazol-4-Yl)Azo)Benzoic Acid
• Molecular Formula: C₁₇H₁₄N₄O₆S
• Molecular Weight: 402.38
• CAS Registry Number: 54480-58-9
• EINECS: 259-180-6
• SMILES: C1=CC(=CC=C1[S](=O)(=O)O)N3N=C(C(N=NC2=C(C(=O)O)C=CC=C2)C3=O)C
• InChI: 1S/C17H14N4O6S/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27/h2-9,15H,1H3,(H,23,24)(H,25,26,27)
• InChIKey: ISIJLUXQMTWMLC-UHFFFAOYSA-N

Properties

• Density: 1.584g/cm³ (Cal.)