[2-ethyl-2-(3-oxidanylidenebutanoyloxymethyl)hexyl] 3-oxidanylidenebutanoate

Systemtic Name: [2-ethyl-2-(3-oxidanylidenebutanoyloxymethyl)hexyl] 3-oxidanylidenebutanoate Openeye Name: [2-ethyl-2-(3-oxobutanoyloxymethyl)hexyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [2-(1,3-dioxobutoxymethyl)-2-ethylhexyl] ester IUPAC Name: [2-ethyl-2-(3-oxobutanoyloxymethyl)hexyl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [2-(acetoacetyloxymethyl)-2-ethyl-hexyl] ester Formula: C17H28O6 MolecularWeight: 328.40062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(COC(=O)CC(=O)C)COC(=O)CC(=O)C

Isomeric SMILES

CCCCC(CC)(COC(=O)CC(=O)C)COC(=O)CC(=O)C

InChI

InChI=1S/C17H28O6/c1-5-7-8-17(6-2,11-22-15(20)9-13(3)18)12-23-16(21)10-14(4)19/h5-12H2,1-4H3