[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H16ClFO3 MolecularWeight: 334.769243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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