2-[2-[[4-Chloro-3-[[4,5-Dihydro-5-Oxo-1-(2,4,6-Trichlorophenyl)-1H-Pyrazol-3-Yl]Amino]Phenyl]Amino]-2-Oxoethyl]Isoicosenoic Acid
[CAS# 68758-77-0]

Identification

• Name: 2-[2-[[4-Chloro-3-[[4,5-Dihydro-5-Oxo-1-(2,4,6-Trichlorophenyl)-1H-Pyrazol-3-Yl]Amino]Phenyl]Amino]-2-Oxoethyl]Isoicosenoic Acid
• Synonyms: (E)-2-[2-[[4-Chloro-3-[[5-Oxo-1-(2,4,6-Trichlorophenyl)-4H-Pyrazol-3-Yl]Amino]Phenyl]Amino]-2-Oxo-Ethyl]-18-Methyl-Nonadec-10-Enoic Acid; (E)-2-[2-[[4-Chloro-3-[[5-Keto-1-(2,4,6-Trichlorophenyl)-4H-Pyrazol-3-Yl]Amino]Phenyl]Amino]-2-Keto-Ethyl]-18-Methyl-Nonadec-10-Enoic Acid; 2-(2-((4-Chloro-3-((4,5-Dihydro-5-Oxo-1-(2,4,6-Trichlorophenyl)-1H-Pyrazol-3-Yl)Amino)Phenyl)Amino)-2-Oxoethyl)Isoicosenoic Acid
• Molecular Formula: C₃₇H₄₈Cl₄N₄O₄
• Molecular Weight: 754.62
• CAS Registry Number: 68758-77-0
• EINECS: 272-153-3
• SMILES: C1=C(Cl)C=C(Cl)C(=C1Cl)N3N=C(NC2=C(Cl)C=CC(=C2)NC(=O)CC(C(=O)O)CCCCCCC\C=C\CCCCCCC(C)C)CC3=O
• InChI: 1S/C37H48Cl4N4O4/c1-25(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-26(37(48)49)20-34(46)42-28-18-19-29(39)32(23-28)43-33-24-35(47)45(44-33)36-30(40)21-27(38)22-31(36)41/h3-4,18-19,21-23,25-26H,5-17,20,24H2,1-2H3,(H,42,46)(H,43,44)(H,48,49)/b4-3+
• InChIKey: YATOPWSWDHHXFS-ONEGZZNKSA-N

Properties

• Density: 1.277g/cm³ (Cal.)