1,1,1,3,3-pentadeuterio-4-methyl-pentan-2-one

Systemtic Name: 1,1,1,3,3-pentadeuterio-4-methyl-pentan-2-one Openeye Name: 1,1,1,3,3-pentadeuterio-4-methyl-pentan-2-one CAS Name: 1,1,1,3,3-pentadeuterio-4-methyl-2-pentanone IUPAC Name: 1,1,1,3,3-pentadeuterio-4-methylpentan-2-one Traditional Name: 1,1,1,3,3-pentadeuterio-4-methyl-pentan-2-one Formula: C6H12O MolecularWeight: 105.189689

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3/i3D3,4D2