5-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)[2-Chloro-4-(Dimethylamino)Phenyl]Methyl]-3-Methylsalicylic Acid
[CAS# 93964-61-5]

Identification

• Name: 5-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)[2-Chloro-4-(Dimethylamino)Phenyl]Methyl]-3-Methylsalicylic Acid
• Synonyms: 5-[(Z)-(3-Carboxy-5-Methyl-4-Oxo-1-Cyclohexa-2,5-Dienylidene)-(2-Chloro-4-Dimethylamino-Phenyl)Methyl]-2-Hydroxy-3-Methyl-Benzoic Acid; 5-[(Z)-(3-Carboxy-4-Keto-5-Methyl-1-Cyclohexa-2,5-Dienylidene)-(2-Chloro-4-Dimethylamino-Phenyl)Methyl]-2-Hydroxy-3-Meth
• Molecular Formula: C₂₅H₂₂ClNO₆
• Molecular Weight: 467.90
• CAS Registry Number: 93964-61-5
• EINECS: 300-906-9
• SMILES: C3=C(\C(=C1\C=C(C(=O)C(=C1)C)C(=O)O)C2=C(Cl)C=C(N(C)C)C=C2)C=C(C(=C3C(=O)O)O)C
• InChI: 1S/C25H22ClNO6/c1-12-7-14(9-18(22(12)28)24(30)31)21(17-6-5-16(27(3)4)11-20(17)26)15-8-13(2)23(29)19(10-15)25(32)33/h5-11,28H,1-4H3,(H,30,31)(H,32,33)/b21-15-
• InChIKey: AAMZDEGBAPMQAP-QNGOZBTKSA-N

Properties

• Density: 1.421g/cm³ (Cal.)
• Boiling point: 722.117°C at 760 mmHg (Cal.)
• Flash point: 390.522°C (Cal.)