1-[[3,4-Bis(Benzoyloxy)Phenyl]Methyl]Isoquinoline-6,7-Diyl Dibenzoate
[CAS# 5878-49-9]

Identification

• Name: 1-[[3,4-Bis(Benzoyloxy)Phenyl]Methyl]Isoquinoline-6,7-Diyl Dibenzoate
• Synonyms: [6-(Benzoyloxy)-1-[[3,4-Bis(Benzoyloxy)Phenyl]Methyl]-7-Isoquinolyl] Benzoate; Benzoic Acid [1-[[3,4-Bis(Oxo-Phenylmethoxy)Phenyl]Methyl]-6-(Oxo-Phenylmethoxy)-7-Isoquinolyl] Ester; Benzoic Acid [6-(Benzoyloxy)-1-[3,4-Bis(Benzoyloxy)Benzyl]-7-Isoquinolyl] Ester
• Molecular Formula: C₄₄H₂₉NO₈
• Molecular Weight: 699.72
• CAS Registry Number: 5878-49-9
• EINECS: 227-552-7
• SMILES: C1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC5=C4C=C(C(=CC4=CC=N5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
• InChI: 1S/C44H29NO8/c46-41(30-13-5-1-6-14-30)50-37-22-21-29(26-38(37)51-42(47)31-15-7-2-8-16-31)25-36-35-28-40(53-44(49)33-19-11-4-12-20-33)39(27-34(35)23-24-45-36)52-43(48)32-17-9-3-10-18-32/h1-24,26-28H,25H2
• InChIKey: MUCMXFLOPWXQCU-UHFFFAOYSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 908.655°C at 760 mmHg (Cal.)
• Flash point: 503.337°C (Cal.)