2-fluoranylbutanoyl 3,4-bis(fluoranyl)-2,5-dimethyl-benzoate

Systemtic Name: 2-fluoranylbutanoyl 3,4-bis(fluoranyl)-2,5-dimethyl-benzoate Openeye Name: 2-fluorobutanoyl 3,4-difluoro-2,5-dimethyl-benzoate CAS Name: 3,4-difluoro-2,5-dimethylbenzoic acid (2-fluoro-1-oxobutyl) ester IUPAC Name: 2-fluorobutanoyl 3,4-difluoro-2,5-dimethylbenzoate Traditional Name: 3,4-difluoro-2,5-dimethyl-benzoic acid 2-fluorobutanoyl ester Formula: C13H13F3O3 MolecularWeight: 274.23573

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(=O)C1=CC(=C(C(=C1C)F)F)C)F

Isomeric SMILES

CCC(C(=O)OC(=O)C1=CC(=C(C(=C1C)F)F)C)F

InChI

InChI=1S/C13H13F3O3/c1-4-9(14)13(18)19-12(17)8-5-6(2)10(15)11(16)7(8)3/h5,9H,4H2,1-3H3