trideuteriomethyl (E)-2-ethanoylhept-4-enoate

Systemtic Name: trideuteriomethyl (E)-2-ethanoylhept-4-enoate Openeye Name: trideuteriomethyl (E)-2-acetylhept-4-enoate CAS Name: (E)-2-acetyl-4-heptenoic acid trideuteriomethyl ester IUPAC Name: trideuteriomethyl (E)-2-acetylhept-4-enoate Traditional Name: (E)-2-acetylhept-4-enoic acid trideuteriomethyl ester Formula: C10H16O3 MolecularWeight: 187.250725

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(C(=O)C)C(=O)OC

Isomeric SMILES

[2H]C([2H])([2H])OC(=O)C(C/C=C/CC)C(=O)C

InChI

InChI=1S/C10H16O3/c1-4-5-6-7-9(8(2)11)10(12)13-3/h5-6,9H,4,7H2,1-3H3/b6-5+/i3D3