[3,4,5-Tris(Phenylmethoxy)-6-(Phenylmethoxymethyl)Oxan-2-Yl] 4-Nitrobenzoate
[CAS# 54423-54-0]

Identification

• Name: [3,4,5-Tris(Phenylmethoxy)-6-(Phenylmethoxymethyl)Oxan-2-Yl] 4-Nitrobenzoate
• Synonyms: [3,4,5-Tris(Phenylmethoxy)-6-(Phenylmethoxymethyl)Tetrahydropyran-2-Yl] 4-Nitrobenzoate; 4-Nitrobenzoic Acid [3,4,5-Tris(Phenylmethoxy)-6-(Phenylmethoxymethyl)-2-Tetrahydropyranyl] Ester; 4-Nitrobenzoic Acid [3,4,5-Tris(Benzyloxy)-6-(Benzyloxymethyl)Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₄₁H₃₉NO₉
• Molecular Weight: 689.76
• CAS Registry Number: 54423-54-0
• SMILES: C6=C(COC1C(C(OC(C1OCC2=CC=CC=C2)COCC3=CC=CC=C3)OC(C4=CC=C([N+](=O)[O-])C=C4)=O)OCC5=CC=CC=C5)C=CC=C6
• InChI: 1S/C41H39NO9/c43-40(34-21-23-35(24-22-34)42(44)45)51-41-39(49-28-33-19-11-4-12-20-33)38(48-27-32-17-9-3-10-18-32)37(47-26-31-15-7-2-8-16-31)36(50-41)29-46-25-30-13-5-1-6-14-30/h1-24,36-39,41H,25-29H2
• InChIKey: IJTANGJQVDVKFH-UHFFFAOYSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 793.653°C at 760 mmHg (Cal.)
• Flash point: 257.998°C (Cal.)