[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C17H15BrO3 MolecularWeight: 347.2032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C17H15BrO3/c1-11-6-8-13(9-7-11)16(19)12(2)21-17(20)14-4-3-5-15(18)10-14/h3-10,12H,1-2H3/t12-/m0/s1