6-[[(E)-(3-Chloro-5-Methyl-6-Oxo-1-Cyclohexa-2,4-Dienylidene)-(4-Chlorophenyl)Methyl]Amino]Heptanoic Acid
[CAS# 104775-11-3]

Identification

• Name: 6-[[(E)-(3-Chloro-5-Methyl-6-Oxo-1-Cyclohexa-2,4-Dienylidene)-(4-Chlorophenyl)Methyl]Amino]Heptanoic Acid
• Synonyms: 6-[[(E)-(3-Chloro-6-Keto-5-Methyl-1-Cyclohexa-2,4-Dienylidene)-(4-Chlorophenyl)Methyl]Amino]Enanthic Acid; 6-(((5-Chloro-2-Hydroxy-3-Methylphenyl)(4-Chlorophenyl)Methylene)Amino)Heptanoic Acid; Heptanoic Acid, 6-(((5-Chloro-2-Hydroxy-3-Methylphenyl)(4-Chlorophenyl)Methylene)Amino)-
• Molecular Formula: C₂₁H₂₃Cl₂NO₃
• Molecular Weight: 408.32
• CAS Registry Number: 104775-11-3
• SMILES: C2=C(\C(NC(CCCCC(O)=O)C)=C1/C(=O)C(=CC(=C1)Cl)C)C=CC(=C2)Cl
• InChI: 1S/C21H23Cl2NO3/c1-13-11-17(23)12-18(21(13)27)20(15-7-9-16(22)10-8-15)24-14(2)5-3-4-6-19(25)26/h7-12,14,24H,3-6H2,1-2H3,(H,25,26)/b20-18+
• InChIKey: VBOQFAIZSISUPL-CZIZESTLSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 571.076°C at 760 mmHg (Cal.)
• Flash point: 299.177°C (Cal.)