[(2S,3S,4R)-2,3,4,5-tetraacetyloxypentyl] octanoate

Systemtic Name: [(2S,3S,4R)-2,3,4,5-tetraacetyloxypentyl] octanoate Openeye Name: [(2S,3S,4R)-2,3,4,5-tetraacetoxypentyl] octanoate CAS Name: octanoic acid [(2S,3S,4R)-2,3,4,5-tetraacetyloxypentyl] ester IUPAC Name: [(2S,3S,4R)-2,3,4,5-tetraacetyloxypentyl] octanoate Traditional Name: caprylic acid [(2S,3S,4R)-2,3,4,5-tetraacetoxypentyl] ester Formula: C21H34O10 MolecularWeight: 446.48866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCC(=O)OC[C@@H]([C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H34O10/c1-6-7-8-9-10-11-20(26)28-13-19(30-16(4)24)21(31-17(5)25)18(29-15(3)23)12-27-14(2)22/h18-19,21H,6-13H2,1-5H3/t18-,19+,21+/m1/s1