[(2S)-3,4-dideuterio-5-oxidanylidene-hexan-2-yl] benzoate

Systemtic Name: [(2S)-3,4-dideuterio-5-oxidanylidene-hexan-2-yl] benzoate Openeye Name: [(1S)-2,3-dideuterio-1-methyl-4-oxo-pentyl] benzoate CAS Name: benzoic acid [(2S)-3,4-dideuterio-5-oxohexan-2-yl] ester IUPAC Name: [(2S)-3,4-dideuterio-5-oxohexan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-2,3-dideuterio-4-keto-1-methyl-pentyl] ester Formula: C13H16O3 MolecularWeight: 222.276664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-10(14)8-9-11(2)16-13(15)12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1/i8D,9D/t8?,9?,11-