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

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 4-bromanylbenzoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H17BrO3 MolecularWeight: 361.22978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrO3/c1-11-4-5-15(10-12(11)2)17(20)13(3)22-18(21)14-6-8-16(19)9-7-14/h4-10,13H,1-3H3/t13-/m0/s1