pentan-2-yl 2,6-bis(fluoranyl)benzoate

Systemtic Name: pentan-2-yl 2,6-bis(fluoranyl)benzoate Openeye Name: 1-methylbutyl 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid 1-methylbutyl ester Formula: C12H14F2O2 MolecularWeight: 228.235166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)C1=C(C=CC=C1F)F

Isomeric SMILES

CCCC(C)OC(=O)C1=C(C=CC=C1F)F

InChI

InChI=1S/C12H14F2O2/c1-3-5-8(2)16-12(15)11-9(13)6-4-7-10(11)14/h4,6-8H,3,5H2,1-2H3