2-[[1-(2-Octadecylsulfanylphenyl)-5-Oxo-4H-Pyrazol-3-Yl]Carbamoyl]Benzenesulfonic Acid
[CAS# 2566-86-1]

Identification

• Name: 2-[[1-(2-Octadecylsulfanylphenyl)-5-Oxo-4H-Pyrazol-3-Yl]Carbamoyl]Benzenesulfonic Acid
• Synonyms: 2-[[[1-[2-(Octadecylthio)Phenyl]-5-Oxo-4H-Pyrazol-3-Yl]Amino]-Oxomethyl]Benzenesulfonic Acid; 2-[[5-Keto-1-[2-(Stearylthio)Phenyl]-4H-Pyrazol-3-Yl]Carbamoyl]Benzenesulfonic Acid
• Molecular Formula: C₃₄H₄₉N₃O₅S₂
• Molecular Weight: 643.90
• CAS Registry Number: 2566-86-1
• EINECS: 219-899-8
• SMILES: C1=CC=CC(=C1N3N=C(NC(=O)C2=C([S](=O)(=O)O)C=CC=C2)CC3=O)SCCCCCCCCCCCCCCCCCC
• InChI: 1S/C34H49N3O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-43-30-24-19-18-23-29(30)37-33(38)27-32(36-37)35-34(39)28-22-17-20-25-31(28)44(40,41)42/h17-20,22-25H,2-16,21,26-27H2,1H3,(H,35,36,39)(H,40,41,42)
• InChIKey: XRURHQQYUBFGFD-UHFFFAOYSA-N

Properties

• Density: 1.194g/cm³ (Cal.)