2-butyl-4,5,6-tris(fluoranyl)-3-(trifluoromethyl)benzoate

Systemtic Name: 2-butyl-4,5,6-tris(fluoranyl)-3-(trifluoromethyl)benzoate Openeye Name: 2-butyl-4,5,6-trifluoro-3-(trifluoromethyl)benzoate CAS Name: 2-butyl-4,5,6-trifluoro-3-(trifluoromethyl)benzoate IUPAC Name: 2-butyl-4,5,6-trifluoro-3-(trifluoromethyl)benzoate Traditional Name: 2-butyl-4,5,6-trifluoro-3-(trifluoromethyl)benzoate Formula: C12H9F6O2- MolecularWeight: 299.189079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1C(F)(F)F)F)F)F)C(=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1C(F)(F)F)F)F)F)C(=O)[O-]

InChI

InChI=1S/C12H10F6O2/c1-2-3-4-5-6(11(19)20)8(13)10(15)9(14)7(5)12(16,17)18/h2-4H2,1H3,(H,19,20)/p-1