trideuteriomethyl benzoate

Systemtic Name: trideuteriomethyl benzoate Openeye Name: trideuteriomethyl benzoate CAS Name: benzoic acid trideuteriomethyl ester IUPAC Name: trideuteriomethyl benzoate Traditional Name: benzoic acid trideuteriomethyl ester Formula: C8H8O2 MolecularWeight: 139.166405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/i1D3