4-[1-[[[2-Chloro-5-[[1-Oxo-2-(3-Pentadecylphenoxy)Butyl]Amino]Phenyl]Amino]Carbonyl]-3,3-Dimethyl-2-Oxobutoxy]Benzoic Acid
[CAS# 60247-55-4]

Identification

• Name: 4-[1-[[[2-Chloro-5-[[1-Oxo-2-(3-Pentadecylphenoxy)Butyl]Amino]Phenyl]Amino]Carbonyl]-3,3-Dimethyl-2-Oxobutoxy]Benzoic Acid
• Synonyms: 4-[1-[[2-Chloro-5-[2-(3-Pentadecylphenoxy)Butanoylamino]Phenyl]Carbamoyl]-3,3-Dimethyl-2-Oxo-Butoxy]Benzoic Acid; 4-[1-[[[2-Chloro-5-[[1-Oxo-2-(3-Pentadecylphenoxy)Butyl]Amino]Phenyl]Amino]-Oxomethyl]-3,3-Dimethyl-2-Oxobutoxy]Benzoic Acid; 4-[1-[[2-Chloro-5-[2-(3-Pentadecylphenoxy)Butanoylamino]Phenyl]Carbamoyl]-2-Keto-3,3-Dimethyl-Butoxy]Benzoic Acid
• Molecular Formula: C₄₅H₆₁ClN₂O₇
• Molecular Weight: 777.44
• CAS Registry Number: 60247-55-4
• SMILES: C2=C(NC(=O)C(OC1=CC(=CC=C1)CCCCCCCCCCCCCCC)CC)C=CC(=C2NC(=O)C(OC3=CC=C(C=C3)C(=O)O)C(=O)C(C)(C)C)Cl
• InChI: 1S/C45H61ClN2O7/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-32-22-20-23-36(30-32)54-39(7-2)42(50)47-34-26-29-37(46)38(31-34)48-43(51)40(41(49)45(3,4)5)55-35-27-24-33(25-28-35)44(52)53/h20,22-31,39-40H,6-19,21H2,1-5H3,(H,47,50)(H,48,51)(H,52,53)
• InChIKey: KWFFRGKTHOHHBY-UHFFFAOYSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 892.044°C at 760 mmHg (Cal.)
• Flash point: 493.291°C (Cal.)