[(2S)-2-ethylhexyl] 3-oxidanylidenebutanoate

Systemtic Name: [(2S)-2-ethylhexyl] 3-oxidanylidenebutanoate Openeye Name: [(2S)-2-ethylhexyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [(2S)-2-ethylhexyl] ester IUPAC Name: [(2S)-2-ethylhexyl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [(2S)-2-ethylhexyl] ester Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](CC)COC(=O)CC(=O)C

InChI

InChI=1S/C12H22O3/c1-4-6-7-11(5-2)9-15-12(14)8-10(3)13/h11H,4-9H2,1-3H3/t11-/m0/s1