3-methylbutyl 2,3,4-tris(fluoranyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C(C(=C(C=C1)F)F)F

Isomeric SMILES

CC(C)CCOC(=O)C1=C(C(=C(C=C1)F)F)F

InChI

InChI=1S/C12H13F3O2/c1-7(2)5-6-17-12(16)8-3-4-9(13)11(15)10(8)14/h3-4,7H,5-6H2,1-2H3