[5-Methyl-2-Oxo-3-(2-Oxopropyl)-6-[1-(Phenylmethoxy)Propan-2-Yl]Oxan-4-Yl] 3,5-Dinitrobenzoate
[CAS# 138847-00-4]

Identification

• Name: [5-Methyl-2-Oxo-3-(2-Oxopropyl)-6-[1-(Phenylmethoxy)Propan-2-Yl]Oxan-4-Yl] 3,5-Dinitrobenzoate
• Synonyms: [5-Acetonyl-3-Methyl-2-[1-Methyl-2-(Phenylmethoxy)Ethyl]-6-Oxo-Tetrahydropyran-4-Yl] 3,5-Dinitrobenzoate; 3,5-Dinitrobenzoic Acid [5-Acetonyl-3-Methyl-2-[1-Methyl-2-(Phenylmethoxy)Ethyl]-6-Oxo-4-Tetrahydropyranyl] Ester; 3,5-Dinitrobenzoic Acid [5-Acetonyl-2-[2-(Benzyloxy)-1-Methyl-Ethyl]-6-Keto-3-Methyl-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₂₆H₂₈N₂O₁₀
• Molecular Weight: 528.51
• CAS Registry Number: 138847-00-4
• SMILES: C3=C(C(OC1C(C(OC(C1C)C(COCC2=CC=CC=C2)C)=O)CC(=O)C)=O)C=C([N+]([O-])=O)C=C3[N+]([O-])=O
• InChI: 1S/C26H28N2O10/c1-15(13-36-14-18-7-5-4-6-8-18)23-17(3)24(22(9-16(2)29)26(31)37-23)38-25(30)19-10-20(27(32)33)12-21(11-19)28(34)35/h4-8,10-12,15,17,22-24H,9,13-14H2,1-3H3
• InChIKey: QFCHHSMYAFEZCK-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 683.007°C at 760 mmHg (Cal.)
• Flash point: 250.868°C (Cal.)