ethyl (2S)-2-ethanoyl-2-ethyl-hexanoate

Systemtic Name: ethyl (2S)-2-ethanoyl-2-ethyl-hexanoate Openeye Name: ethyl (2S)-2-acetyl-2-ethyl-hexanoate CAS Name: (2S)-2-acetyl-2-ethylhexanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-acetyl-2-ethylhexanoate Traditional Name: (2S)-2-acetyl-2-ethyl-hexanoic acid ethyl ester Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C(=O)C)C(=O)OCC

Isomeric SMILES

CCCC[C@@](CC)(C(=O)C)C(=O)OCC

InChI

InChI=1S/C12H22O3/c1-5-8-9-12(6-2,10(4)13)11(14)15-7-3/h5-9H2,1-4H3/t12-/m0/s1