3-[(E)-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazol-4-Yl]Azo]Benzenesulfonic Acid
[CAS# 181819-97-6]

Identification

• Name: 3-[(E)-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazol-4-Yl]Azo]Benzenesulfonic Acid
• Synonyms: 3-[[4,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]benzenesulfonic acid; 3-[[4,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]benzenesulfonicacid
• Molecular Formula: C₁₆H₁₄N₄O₇S₂
• Molecular Weight: 438.43
• CAS Registry Number: 181819-97-6
• SMILES: CC1=NN(C(=O)C1/N=N/c2cccc(c2)S(=O)(=O)O)c3ccc(cc3)S(=O)(=O)O
• InChI: 1S/C16H14N4O7S2/c1-10-15(18-17-11-3-2-4-14(9-11)29(25,26)27)16(21)20(19-10)12-5-7-13(8-6-12)28(22,23)24/h2-9,15H,1H3,(H,22,23,24)(H,25,26,27)/b18-17+
• InChIKey: USKZGRHKWIRPHB-ISLYRVAYSA-N

Properties

• Density: 1.68g/cm³ (Cal.)
• Refractive index: 1.725 (Cal.)