5-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)[2-Chloro-4-(Diethylamino)Phenyl]Methyl]-3-Methylsalicylic Acid
[CAS# 7452-52-0]

Identification

• Name: 5-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)[2-Chloro-4-(Diethylamino)Phenyl]Methyl]-3-Methylsalicylic Acid
• Synonyms: 5-[(Z)-(3-Carboxy-5-Methyl-4-Oxo-1-Cyclohexa-2,5-Dienylidene)-(2-Chloro-4-Diethylamino-Phenyl)Methyl]-2-Hydroxy-3-Methyl-Benzoic Acid; 5-[(Z)-(3-Carboxy-4-Keto-5-Methyl-1-Cyclohexa-2,5-Dienylidene)-(2-Chloro-4-Diethylamino-Phenyl)Methyl]-2-Hydroxy-3-Methyl-Benzoic Acid; 5-((3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)(2-Chloro-4-(Diethylamino)Phenyl)Methyl)-3-Methylsalicylic Acid
• Molecular Formula: C₂₇H₂₆ClNO₆
• Molecular Weight: 495.96
• CAS Registry Number: 7452-52-0
• EINECS: 231-223-3
• SMILES: C1=CC(=CC(=C1\C(C2=CC(=C(O)C(=C2)C)C(O)=O)=C3\C=C(C(=O)C(=C3)C(O)=O)C)Cl)N(CC)CC
• InChI: 1S/C27H26ClNO6/c1-5-29(6-2)18-7-8-19(22(28)13-18)23(16-9-14(3)24(30)20(11-16)26(32)33)17-10-15(4)25(31)21(12-17)27(34)35/h7-13,30H,5-6H2,1-4H3,(H,32,33)(H,34,35)/b23-17-
• InChIKey: NLLQYOGZDSLZQG-QJOMJCCJSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 731.899°C at 760 mmHg (Cal.)
• Flash point: 396.438°C (Cal.)