5-[[2-(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl)-4-Sulphophenyl]Sulphonyl]Salicylic Acid
[CAS# 6201-75-8]

Identification

• Name: 5-[[2-(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl)-4-Sulphophenyl]Sulphonyl]Salicylic Acid
• Synonyms: 2-Hydroxy-5-[2-(3-Methyl-5-Oxo-4H-Pyrazol-1-Yl)-4-Sulfo-Phenyl]Sulfonyl-Benzoic Acid; 2-Hydroxy-5-[2-(5-Keto-3-Methyl-4H-Pyrazol-1-Yl)-4-Sulfo-Phenyl]Sulfonyl-Benzoic Acid; 5-((2-(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl)-4-Sulphophenyl)Sulphonyl)Salicylic Acid
• Molecular Formula: C₁₇H₁₄N₂O₉S₂
• Molecular Weight: 454.43
• CAS Registry Number: 6201-75-8
• EINECS: 228-258-1
• SMILES: C1=C(C(=CC=C1[S](=O)(=O)O)[S](=O)(=O)C2=CC(=C(C=C2)O)C(O)=O)N3C(CC(=N3)C)=O
• InChI: 1S/C17H14N2O9S2/c1-9-6-16(21)19(18-9)13-8-11(30(26,27)28)3-5-15(13)29(24,25)10-2-4-14(20)12(7-10)17(22)23/h2-5,7-8,20H,6H2,1H3,(H,22,23)(H,26,27,28)
• InChIKey: SQFSKKWFISMBPH-UHFFFAOYSA-N

Properties

• Density: 1.733g/cm³ (Cal.)