[(2S)-octan-2-yl] 3-oxidanylidenebutanoate

Systemtic Name: [(2S)-octan-2-yl] 3-oxidanylidenebutanoate Openeye Name: [(1S)-1-methylheptyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [(2S)-octan-2-yl] ester IUPAC Name: [(2S)-octan-2-yl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [(1S)-1-methylheptyl] ester Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CC(=O)C

Isomeric SMILES

CCCCCC[C@H](C)OC(=O)CC(=O)C

InChI

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