3-[4-(Diethylamino)-2-Hydroxyphenyl]-3-[2-Ethoxy-5-(Phenylamino)Phenyl]-1,3-Dihydro-1-Oxo-5-Isobenzofurancarboxylic Acid
[CAS# 71799-69-4]

Identification

• Name: 3-[4-(Diethylamino)-2-Hydroxyphenyl]-3-[2-Ethoxy-5-(Phenylamino)Phenyl]-1,3-Dihydro-1-Oxo-5-Isobenzofurancarboxylic Acid
• Synonyms: (3S)-3-(4-Diethylamino-2-Hydroxy-Phenyl)-3-[2-Ethoxy-5-(Phenylamino)Phenyl]-1-Oxo-Isobenzofuran-5-Carboxylic Acid; (3S)-3-(4-Diethylamino-2-Hydroxyphenyl)-3-[2-Ethoxy-5-(Phenylamino)Phenyl]-1-Oxo-5-Isobenzofurancarboxylic Acid; (3S)-3-(4-Diethylamino-2-Hydroxy-Phenyl)-3-[2-Ethoxy-5-(Phenylamino)Phenyl]-1-Keto-Isobenzofuran-5-Carboxylic Acid
• Molecular Formula: C₃₃H₃₂N₂O₆
• Molecular Weight: 552.63
• CAS Registry Number: 71799-69-4
• SMILES: [C@]1(OC(=O)C2=C1C=C(C=C2)C(=O)O)(C3=CC=C(C=C3O)N(CC)CC)C4=CC(=CC=C4OCC)NC5=CC=CC=C5
• InChI: 1S/C33H32N2O6/c1-4-35(5-2)24-14-16-26(29(36)20-24)33(27-18-21(31(37)38)12-15-25(27)32(39)41-33)28-19-23(13-17-30(28)40-6-3)34-22-10-8-7-9-11-22/h7-20,34,36H,4-6H2,1-3H3,(H,37,38)/t33-/m1/s1
• InChIKey: XFNQNJLFAQFDND-MGBGTMOVSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 788.721°C at 760 mmHg (Cal.)
• Flash point: 430.803°C (Cal.)