2-Ethoxy-5-[3-(Octadecanoylamino)-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonic Acid
[CAS# 3968-15-8]

Identification

• Name: 2-Ethoxy-5-[3-(Octadecanoylamino)-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonic Acid
• Synonyms: 2-Ethoxy-5-[5-Oxo-3-(1-Oxooctadecylamino)-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; 2-Ethoxy-5-(5-Keto-3-Stearamido-4H-Pyrazol-1-Yl)Benzenesulfonic Acid; 2-Ethoxy-5-(5-Oxo-3-Stearamido-2-Pyrazolin-1-Yl)Benzenesulphonic Acid
• Molecular Formula: C₂₉H₄₇N₃O₆S
• Molecular Weight: 565.77
• CAS Registry Number: 3968-15-8
• EINECS: 223-586-1
• SMILES: C2=C(N1N=C(CC1=O)NC(=O)CCCCCCCCCCCCCCCCC)C=CC(=C2[S](=O)(=O)O)OCC
• InChI: 1S/C29H47N3O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(33)30-27-23-29(34)32(31-27)24-20-21-25(38-4-2)26(22-24)39(35,36)37/h20-22H,3-19,23H2,1-2H3,(H,30,31,33)(H,35,36,37)
• InChIKey: HFDAKMRRPSYKME-UHFFFAOYSA-N

Properties

• Density: 1.182g/cm³ (Cal.)