Acetoxymethyl ([2-(Acetoxymethoxy)-2-Oxoethyl]{2-[2-(2-{Bis[2-(Acetoxymethoxy)-2-Oxoethyl]Amino}-5-[Hydroxy(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenoxy)Ethoxy]-4-Methylphenyl}Amino)Acetate
[CAS# 209161-73-9]

Identification

• Name: Acetoxymethyl ([2-(Acetoxymethoxy)-2-Oxoethyl]{2-[2-(2-{Bis[2-(Acetoxymethoxy)-2-Oxoethyl]Amino}-5-[Hydroxy(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenoxy)Ethoxy]-4-Methylphenyl}Amino)Acetate
• Synonyms: Nitr 5 tetrakis(acetoxymethyl ester); Nitr 5/AM; NITR5/AM
• Molecular Formula: C₄₃H₄₇N₃O₂₃
• Molecular Weight: 973.84
• CAS Registry Number: 209161-73-9
• SMILES: O=C(OCOC(=O)CN(c4ccc(cc4OCCOc1c(N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)ccc(c1)C(O)c2cc3OCOc3cc2[N+]([O-])=O)C)CC(=O)OCOC(=O)C)C
• InChI: 1S/C43H47N3O23/c1-25-6-8-32(44(16-39(51)66-20-60-26(2)47)17-40(52)67-21-61-27(3)48)35(12-25)58-10-11-59-36-13-30(43(55)31-14-37-38(65-24-64-37)15-34(31)46(56)57)7-9-33(36)45(18-41(53)68-22-62-28(4)49)19-42(54)69-23-63-29(5)50/h6-9,12-15,43,55H,10-11,16-24H2,1-5H3
• InChIKey: KGQNBQFELVBWSX-UHFFFAOYSA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 984.521°C at 760 mmHg (Cal.)
• Flash point: 549.219°C (Cal.)
• Refractive index: 1.586 (Cal.)