ethyl 4-tert-butyl-2,6-dideuterio-benzoate

Systemtic Name: ethyl 4-tert-butyl-2,6-dideuterio-benzoate Openeye Name: ethyl 4-tert-butyl-2,6-dideuterio-benzoate CAS Name: 4-tert-butyl-2,6-dideuteriobenzoic acid ethyl ester IUPAC Name: ethyl 4-tert-butyl-2,6-dideuteriobenzoate Traditional Name: 4-tert-butyl-2,6-dideuterio-benzoic acid ethyl ester Formula: C13H18O2 MolecularWeight: 208.293144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

[2H]C1=CC(=CC(=C1C(=O)OCC)[2H])C(C)(C)C

InChI

InChI=1S/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3/i6D,7D