5-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)[4-[(4-Tolyl)Amino]Phenyl]Methyl]-3-Methylsalicylic Acid
[CAS# 5852-33-5]

Identification

• Name: 5-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)[4-[(4-Tolyl)Amino]Phenyl]Methyl]-3-Methylsalicylic Acid
• Synonyms: 5-[(E)-(3-Carboxy-5-Methyl-4-Oxo-1-Cyclohexa-2,5-Dienylidene)-[4-[(4-Methylphenyl)Amino]Phenyl]Methyl]-2-Hydroxy-3-Methyl-Benzoic Acid; 5-[(E)-(3-Carboxy-4-Keto-5-Methyl-1-Cyclohexa-2,5-Dienylidene)-[4-[(4-Methylphenyl)Amino]Phenyl]Methyl]-2-Hydroxy-3-Methyl-Benzoic Acid; 5-((3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)(4-((4-Tolyl)Amino)Phenyl)Methyl)-3-Methylsalicylic Acid
• Molecular Formula: C₃₀H₂₅NO₆
• Molecular Weight: 495.53
• CAS Registry Number: 5852-33-5
• EINECS: 227-462-8
• SMILES: C1=C(C(=C(C=C1\C(=C2/C=C(C(=O)C(=C2)C(O)=O)C)C4=CC=C(NC3=CC=C(C=C3)C)C=C4)C(O)=O)O)C
• InChI: 1S/C30H25NO6/c1-16-4-8-22(9-5-16)31-23-10-6-19(7-11-23)26(20-12-17(2)27(32)24(14-20)29(34)35)21-13-18(3)28(33)25(15-21)30(36)37/h4-15,31-32H,1-3H3,(H,34,35)(H,36,37)/b26-21+
• InChIKey: FLHLRJRHAMSIBS-YYADALCUSA-N

Properties

• Density: 1.371g/cm³ (Cal.)
• Boiling point: 751.689°C at 760 mmHg (Cal.)
• Flash point: 408.407°C (Cal.)