3,5-dimethyl-2,6-bis(trideuteriomethyl)pyran-4-one

Systemtic Name: 3,5-dimethyl-2,6-bis(trideuteriomethyl)pyran-4-one Openeye Name: 3,5-dimethyl-2,6-bis(trideuteriomethyl)pyran-4-one CAS Name: 3,5-dimethyl-2,6-bis(trideuteriomethyl)-4-pyranone IUPAC Name: 3,5-dimethyl-2,6-bis(trideuteriomethyl)pyran-4-one Traditional Name: 3,5-dimethyl-2,6-bis(trideuteriomethyl)pyran-4-one Formula: C9H12O2 MolecularWeight: 158.227351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C(C1=O)C)C)C

Isomeric SMILES

[2H]C([2H])([2H])C1=C(C(=O)C(=C(O1)C([2H])([2H])[2H])C)C

InChI

InChI=1S/C9H12O2/c1-5-7(3)11-8(4)6(2)9(5)10/h1-4H3/i3D3,4D3