ethyl 4-bromanyl-2,6-dideuterio-benzoate

Systemtic Name: ethyl 4-bromanyl-2,6-dideuterio-benzoate Openeye Name: ethyl 4-bromo-2,6-dideuterio-benzoate CAS Name: 4-bromo-2,6-dideuteriobenzoic acid ethyl ester IUPAC Name: ethyl 4-bromo-2,6-dideuteriobenzoate Traditional Name: 4-bromo-2,6-dideuterio-benzoic acid ethyl ester Formula: C9H9BrO2 MolecularWeight: 231.082884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3/i3D,4D