4-[1-[[[[1-(2-Chloro-4,6-Dimethylphenyl)-4,5-Dihydro-5-Oxo-1H-Pyrazol]-3-Yl]Amino]Carbonyl]Propoxy]-2-Pentadecylbenzenesulfonic Acid
[CAS# 63181-82-8]

Identification

• Name: 4-[1-[[[[1-(2-Chloro-4,6-Dimethylphenyl)-4,5-Dihydro-5-Oxo-1H-Pyrazol]-3-Yl]Amino]Carbonyl]Propoxy]-2-Pentadecylbenzenesulfonic Acid
• Synonyms: 4-[1-[[1-(2-Chloro-4,6-Dimethyl-Phenyl)-5-Oxo-4H-Pyrazol-3-Yl]Carbamoyl]Propoxy]-2-Pentadecyl-Benzenesulfonic Acid; 4-[1-[[[1-(2-Chloro-4,6-Dimethylphenyl)-5-Oxo-4H-Pyrazol-3-Yl]Amino]-Oxomethyl]Propoxy]-2-Pentadecylbenzenesulfonic Acid; 4-[1-[[1-(2-Chloro-4,6-Dimethyl-Phenyl)-5-Keto-4H-Pyrazol-3-Yl]Carbamoyl]Propoxy]-2-Pentadecyl-Benzenesulfonic Acid
• Molecular Formula: C₃₆H₅₂ClN₃O₆S
• Molecular Weight: 690.34
• CAS Registry Number: 63181-82-8
• SMILES: C3=C(OC(CC)C(=O)NC1=NN(C(=O)C1)C2=C(C=C(C=C2Cl)C)C)C=CC(=C3CCCCCCCCCCCCCCC)[S](O)(=O)=O
• InChI: 1S/C36H52ClN3O6S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-28-24-29(20-21-32(28)47(43,44)45)46-31(6-2)36(42)38-33-25-34(41)40(39-33)35-27(4)22-26(3)23-30(35)37/h20-24,31H,5-19,25H2,1-4H3,(H,38,39,42)(H,43,44,45)
• InChIKey: NTLDJLGEIMFHKZ-UHFFFAOYSA-N

Properties

• Density: 1.211g/cm³ (Cal.)