2-[[[4,5-Dihydro-3-Methyl-1-(2-Methyl-4-Sulfophenyl)-5-Oxo-1H-Pyrazol]-4-Yl]Azo]-4-Sulfobenzoic Acid
[CAS# 68957-71-1]

Identification

• Name: 2-[[[4,5-Dihydro-3-Methyl-1-(2-Methyl-4-Sulfophenyl)-5-Oxo-1H-Pyrazol]-4-Yl]Azo]-4-Sulfobenzoic Acid
• Synonyms: 2-[[3-Methyl-1-(2-Methyl-4-Sulfo-Phenyl)-5-Oxo-4H-Pyrazol-4-Yl]Azo]-4-Sulfo-Benzoic Acid; 2-[[3-Methyl-1-(2-Methyl-4-Sulfophenyl)-5-Oxo-4H-Pyrazol-4-Yl]Azo]-4-Sulfobenzoic Acid; 2-[[5-Keto-3-Methyl-1-(2-Methyl-4-Sulfo-Phenyl)-4H-Pyrazol-4-Yl]Azo]-4-Sulfo-Benzoic Acid
• Molecular Formula: C₁₈H₁₆N₄O₉S₂
• Molecular Weight: 496.47
• CAS Registry Number: 68957-71-1
• SMILES: C1=C(C=CC(=C1C)N2N=C(C)C(C2=O)N=NC3=C(C(O)=O)C=CC(=C3)[S](O)(=O)=O)[S](O)(=O)=O
• InChI: 1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,16H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)
• InChIKey: IWRNXXGBYMSDNZ-UHFFFAOYSA-N

Properties

• Density: 1.732g/cm³ (Cal.)