[1-(2,2-dimethylpropanoyloxy)-3-(2-phenylethanoyloxy)propan-2-yl] octanoate

Systemtic Name: [1-(2,2-dimethylpropanoyloxy)-3-(2-phenylethanoyloxy)propan-2-yl] octanoate Openeye Name: [1-(2,2-dimethylpropanoyloxymethyl)-2-(2-phenylacetyl)oxy-ethyl] octanoate CAS Name: octanoic acid [1-(2,2-dimethyl-1-oxopropoxy)-3-(1-oxo-2-phenylethoxy)propan-2-yl] ester IUPAC Name: [1-(2,2-dimethylpropanoyloxy)-3-(2-phenylacetyl)oxypropan-2-yl] octanoate Traditional Name: caprylic acid [1-[(2-phenylacetyl)oxymethyl]-2-pivaloyloxy-ethyl] ester Formula: C24H36O6 MolecularWeight: 420.53904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(COC(=O)CC1=CC=CC=C1)COC(=O)C(C)(C)C

Isomeric SMILES

CCCCCCCC(=O)OC(COC(=O)CC1=CC=CC=C1)COC(=O)C(C)(C)C

InChI

InChI=1S/C24H36O6/c1-5-6-7-8-12-15-21(25)30-20(18-29-23(27)24(2,3)4)17-28-22(26)16-19-13-10-9-11-14-19/h9-11,13-14,20H,5-8,12,15-18H2,1-4H3