[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H16ClFO3 MolecularWeight: 334.769243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C18H16ClFO3/c1-10-7-8-11(2)13(9-10)17(21)12(3)23-18(22)16-14(19)5-4-6-15(16)20/h4-9,12H,1-3H3/t12-/m0/s1