pentan-2-yl 2,3,4-tris(fluoranyl)benzoate

Systemtic Name: pentan-2-yl 2,3,4-tris(fluoranyl)benzoate Openeye Name: 1-methylbutyl 2,3,4-trifluorobenzoate CAS Name: 2,3,4-trifluorobenzoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 2,3,4-trifluorobenzoate Traditional Name: 2,3,4-trifluorobenzoic acid 1-methylbutyl ester Formula: C12H13F3O2 MolecularWeight: 246.22563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3O2/c1-3-4-7(2)17-12(16)8-5-6-9(13)11(15)10(8)14/h5-7H,3-4H2,1-2H3