2-bromanyl-2-deuterio-3-fluoranyl-3-(4-methylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)propan-1-one

Systemtic Name: 2-bromanyl-2-deuterio-3-fluoranyl-3-(4-methylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)propan-1-one Openeye Name: 2-bromo-2-deuterio-3-fluoro-1-(2,3,4,5,6-pentadeuteriophenyl)-3-(p-tolyl)propan-1-one CAS Name: 2-bromo-2-deuterio-3-fluoro-3-(4-methylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)-1-propanone IUPAC Name: 2-bromo-2-deuterio-3-fluoro-3-(4-methylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)propan-1-one Traditional Name: 2-bromo-2-deuterio-3-fluoro-1-(2,3,4,5,6-pentadeuteriophenyl)-3-(p-tolyl)propan-1-one Formula: C16H14BrFO MolecularWeight: 327.221134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)Br)F

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C([2H])(C(C2=CC=C(C=C2)C)F)Br)[2H])[2H]

InChI

InChI=1S/C16H14BrFO/c1-11-7-9-12(10-8-11)15(18)14(17)16(19)13-5-3-2-4-6-13/h2-10,14-15H,1H3/i2D,3D,4D,5D,6D,14D