[(2R)-3-[2-(2,4-dinitrophenyl)ethanoyloxy]-2-oxidanyl-propyl] hexadecanoate

Systemtic Name: [(2R)-3-[2-(2,4-dinitrophenyl)ethanoyloxy]-2-oxidanyl-propyl] hexadecanoate Openeye Name: [(2R)-3-[2-(2,4-dinitrophenyl)acetyl]oxy-2-hydroxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[2-(2,4-dinitrophenyl)-1-oxoethoxy]-2-hydroxypropyl] ester IUPAC Name: [(2R)-3-[2-(2,4-dinitrophenyl)acetyl]oxy-2-hydroxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-[2-(2,4-dinitrophenyl)acetyl]oxy-2-hydroxy-propyl] ester Formula: C27H42N2O9 MolecularWeight: 538.63038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C27H42N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(31)37-20-24(30)21-38-27(32)18-22-16-17-23(28(33)34)19-25(22)29(35)36/h16-17,19,24,30H,2-15,18,20-21H2,1H3/t24-/m1/s1