3-[4,5-Dihydro-5-Oxo-3-[4-[(1-Oxooctadecyl)Amino]Phenyl]-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
[CAS# 97158-37-7]

Identification

• Name: 3-[4,5-Dihydro-5-Oxo-3-[4-[(1-Oxooctadecyl)Amino]Phenyl]-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
• Synonyms: 3-[5-Oxo-3-[4-(1-Oxooctadecylamino)Phenyl]-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; 3-[5-Keto-3-(4-Stearamidophenyl)-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; 3-(4,5-Dihydro-5-Oxo-3-(4-((1-Oxooctadecyl)Amino)Phenyl)-1H-Pyrazol-1-Yl)Benzenesulphonic Acid
• Molecular Formula: C₃₃H₄₇N₃O₅S
• Molecular Weight: 597.81
• CAS Registry Number: 97158-37-7
• EINECS: 306-368-1
• SMILES: C1=C([S](=O)(=O)O)C=CC=C1N3N=C(C2=CC=C(NC(=O)CCCCCCCCCCCCCCCCC)C=C2)CC3=O
• InChI: 1S/C33H47N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32(37)34-28-23-21-27(22-24-28)31-26-33(38)36(35-31)29-18-17-19-30(25-29)42(39,40)41/h17-19,21-25H,2-16,20,26H2,1H3,(H,34,37)(H,39,40,41)
• InChIKey: COCBSNGTVHMNDB-UHFFFAOYSA-N

Properties

• Density: 1.175g/cm³ (Cal.)