(3,4,5-triacetyloxy-2-oxidanyl-6-oxidanylidene-hexyl) octanoate

Systemtic Name: (3,4,5-triacetyloxy-2-oxidanyl-6-oxidanylidene-hexyl) octanoate Openeye Name: (3,4,5-triacetoxy-2-hydroxy-6-oxo-hexyl) octanoate CAS Name: octanoic acid (3,4,5-triacetyloxy-2-hydroxy-6-oxohexyl) ester IUPAC Name: (3,4,5-triacetyloxy-2-hydroxy-6-oxohexyl) octanoate Traditional Name: caprylic acid (3,4,5-triacetoxy-2-hydroxy-6-keto-hexyl) ester Formula: C20H32O10 MolecularWeight: 432.46208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O10/c1-5-6-7-8-9-10-18(26)27-12-16(25)19(29-14(3)23)20(30-15(4)24)17(11-21)28-13(2)22/h11,16-17,19-20,25H,5-10,12H2,1-4H3