methyl 2,3-dideuterio-4-phenyl-pentanoate

Systemtic Name: methyl 2,3-dideuterio-4-phenyl-pentanoate Openeye Name: methyl 2,3-dideuterio-4-phenyl-pentanoate CAS Name: 2,3-dideuterio-4-phenylpentanoic acid methyl ester IUPAC Name: methyl 2,3-dideuterio-4-phenylpentanoate Traditional Name: 2,3-dideuterio-4-phenyl-valeric acid methyl ester Formula: C12H16O2 MolecularWeight: 194.266564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2/c1-10(8-9-12(13)14-2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/i8D,9D