ethyl 3,3,4,4,4-pentadeuterio-2-ethanoyl-butanoate

Systemtic Name: ethyl 3,3,4,4,4-pentadeuterio-2-ethanoyl-butanoate Openeye Name: ethyl 2-acetyl-3,3,4,4,4-pentadeuterio-butanoate CAS Name: 2-acetyl-3,3,4,4,4-pentadeuteriobutanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3,3,4,4,4-pentadeuteriobutanoate Traditional Name: 2-acetyl-3,3,4,4,4-pentadeuterio-butyric acid ethyl ester Formula: C8H14O3 MolecularWeight: 163.225769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)C(=O)OCC

Isomeric SMILES

[2H]C([2H])([2H])C([2H])([2H])C(C(=O)C)C(=O)OCC

InChI

InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3/i1D3,4D2