[(E)-6,6,6-trideuterio-5-oxidanylidene-3-phenyl-hex-2-en-2-yl] 2,2,2-trideuterioethanoate

Systemtic Name: [(E)-6,6,6-trideuterio-5-oxidanylidene-3-phenyl-hex-2-en-2-yl] 2,2,2-trideuterioethanoate Openeye Name: [(E)-5,5,5-trideuterio-1-methyl-4-oxo-2-phenyl-pent-1-enyl] 2,2,2-trideuterioacetate CAS Name: 2,2,2-trideuterioacetic acid [(E)-6,6,6-trideuterio-5-oxo-3-phenylhex-2-en-2-yl] ester IUPAC Name: [(E)-6,6,6-trideuterio-5-oxo-3-phenylhex-2-en-2-yl] 2,2,2-trideuterioacetate Traditional Name: 2,2,2-trideuterioacetic acid [(E)-5,5,5-trideuterio-4-keto-1-methyl-2-phenyl-pent-1-enyl] ester Formula: C14H16O3 MolecularWeight: 238.312011

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=C(C)OC(=O)C)C1=CC=CC=C1

Isomeric SMILES

[2H]C([2H])([2H])C(=O)C/C(=C(/C)\OC(=O)C([2H])([2H])[2H])/C1=CC=CC=C1

InChI

InChI=1S/C14H16O3/c1-10(15)9-14(11(2)17-12(3)16)13-7-5-4-6-8-13/h4-8H,9H2,1-3H3/b14-11+/i1D3,3D3