5-[4,5-Dihydro-5-Oxo-3-[(1-Oxooctadecyl)Amino]-1H-Pyrazol-1-Yl]-2-Phenoxy-Benzenesulfonic Acid
[CAS# 25985-53-9]

Identification

• Name: 5-[4,5-Dihydro-5-Oxo-3-[(1-Oxooctadecyl)Amino]-1H-Pyrazol-1-Yl]-2-Phenoxy-Benzenesulfonic Acid
• Synonyms: 5-[5-Oxo-3-(1-Oxooctadecylamino)-4H-Pyrazol-1-Yl]-2-(Phenoxy)Benzenesulfonic Acid; 5-(5-Keto-3-Stearamido-4H-Pyrazol-1-Yl)-2-(Phenoxy)Benzenesulfonic Acid; 5-(4,5-Dihydro-5-Oxo-3-((1-Oxooctadecyl)Amino)-1H-Pyrazol-1-Yl)-2-Phenoxybenzenesulphonic Acid
• Molecular Formula: C₃₃H₄₇N₃O₆S
• Molecular Weight: 613.81
• CAS Registry Number: 25985-53-9
• EINECS: 247-390-0
• SMILES: C2=C(N1N=C(NC(CCCCCCCCCCCCCCCCC)=O)CC1=O)C=CC(=C2[S](O)(=O)=O)OC3=CC=CC=C3
• InChI: 1S/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-25H,2-15,19,22,26H2,1H3,(H,34,35,37)(H,39,40,41)
• InChIKey: UYEZDWWGFYJUOF-UHFFFAOYSA-N

Properties

• Density: 1.191g/cm³ (Cal.)