4-(1-(((5-((4-(2,4-Bis(tert-pentyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)benzoic acid
[CAS# 53918-53-9]

Identification

• Name: 4-(1-(((5-((4-(2,4-Bis(tert-pentyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)benzoic acid
• Synonyms: 4-[1-[[5-[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]Butanoylamino]-2-Chloro-Phenyl]Carbamoyl]-3,3-Dimethyl-2-Oxo-Butoxy]Benzoic Acid; 4-[1-[[[5-[[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-1-Oxobutyl]Amino]-2-Chlorophenyl]Amino]-Oxomethyl]-3,3-Dimethyl-2-Oxobutoxy]Benzoic Acid; 4-[1-[[2-Chloro-5-[4-(2,4-Ditert-Amylphenoxy)Butanoylamino]Phenyl]Carbamoyl]-2-Keto-3,3-Dimethyl-Butoxy]Benzoic Acid
• Molecular Formula: C₄₀H₅₁ClN₂O₇
• Molecular Weight: 707.31
• CAS Registry Number: 53918-53-9
• EINECS: 258-863-6
• SMILES: C1=C(C(CC)(C)C)C=CC(=C1C(CC)(C)C)OCCCC(NC2=CC(=C(Cl)C=C2)NC(C(OC3=CC=C(C=C3)C(O)=O)C(C(C)(C)C)=O)=O)=O
• InChI: 1S/C40H51ClN2O7/c1-10-39(6,7)26-16-21-32(29(23-26)40(8,9)11-2)49-22-12-13-33(44)42-27-17-20-30(41)31(24-27)43-36(46)34(35(45)38(3,4)5)50-28-18-14-25(15-19-28)37(47)48/h14-21,23-24,34H,10-13,22H2,1-9H3,(H,42,44)(H,43,46)(H,47,48)
• InChIKey: UHUHWJMSXWDGAT-UHFFFAOYSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 846.919°C at 760 mmHg (Cal.)
• Flash point: 466°C (Cal.)