methyl 2-(4-bromophenyl)-3,3,3-trideuterio-2-(trideuteriomethyl)propanoate

Systemtic Name: methyl 2-(4-bromophenyl)-3,3,3-trideuterio-2-(trideuteriomethyl)propanoate Openeye Name: methyl 2-(4-bromophenyl)-3,3,3-trideuterio-2-(trideuteriomethyl)propanoate CAS Name: 2-(4-bromophenyl)-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-3,3,3-trideuterio-2-(trideuteriomethyl)propanoate Traditional Name: 2-(4-bromophenyl)-3,3,3-trideuterio-2-(trideuteriomethyl)propionic acid methyl ester Formula: C11H13BrO2 MolecularWeight: 263.160691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3/i1D3,2D3