3-methylbutyl 2,3,4-tris(fluoranyl)-5-(trifluoromethyl)benzoate

Systemtic Name: 3-methylbutyl 2,3,4-tris(fluoranyl)-5-(trifluoromethyl)benzoate Openeye Name: isopentyl 2,3,4-trifluoro-5-(trifluoromethyl)benzoate CAS Name: 2,3,4-trifluoro-5-(trifluoromethyl)benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2,3,4-trifluoro-5-(trifluoromethyl)benzoate Traditional Name: 2,3,4-trifluoro-5-(trifluoromethyl)benzoic acid isoamyl ester Formula: C13H12F6O2 MolecularWeight: 314.223599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC(=C(C(=C1F)F)F)C(F)(F)F

Isomeric SMILES

CC(C)CCOC(=O)C1=CC(=C(C(=C1F)F)F)C(F)(F)F

InChI

InChI=1S/C13H12F6O2/c1-6(2)3-4-21-12(20)7-5-8(13(17,18)19)10(15)11(16)9(7)14/h5-6H,3-4H2,1-2H3