[(1R,2S)-4-(diethoxymethyl)-2-octanoyloxy-cyclohexyl] octanoate

Systemtic Name: [(1R,2S)-4-(diethoxymethyl)-2-octanoyloxy-cyclohexyl] octanoate Openeye Name: [(1R,2S)-4-(diethoxymethyl)-2-octanoyloxy-cyclohexyl] octanoate CAS Name: octanoic acid [(1R,2S)-4-(diethoxymethyl)-2-(1-oxooctoxy)cyclohexyl] ester IUPAC Name: [(1R,2S)-4-(diethoxymethyl)-2-octanoyloxycyclohexyl] octanoate Traditional Name: caprylic acid [(1R,2S)-2-caprylyloxy-4-(diethoxymethyl)cyclohexyl] ester Formula: C27H50O6 MolecularWeight: 470.6823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CCC(CC1OC(=O)CCCCCCC)C(OCC)OCC

Isomeric SMILES

CCCCCCCC(=O)O[C@@H]1CCC(C[C@@H]1OC(=O)CCCCCCC)C(OCC)OCC

InChI

InChI=1S/C27H50O6/c1-5-9-11-13-15-17-25(28)32-23-20-19-22(27(30-7-3)31-8-4)21-24(23)33-26(29)18-16-14-12-10-6-2/h22-24,27H,5-21H2,1-4H3/t22?,23-,24+/m1/s1