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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F6O2/c1-2-3-4-5-21-12(20)7-6-8(13(17,18)19)10(15)11(16)9(7)14/h6H,2-5H2,1H3