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

Systemtic Name: butan-2-yl 2,3,4-tris(fluoranyl)-5-(trifluoromethyl)benzoate Openeye Name: sec-butyl 2,3,4-trifluoro-5-(trifluoromethyl)benzoate CAS Name: 2,3,4-trifluoro-5-(trifluoromethyl)benzoic acid butan-2-yl ester IUPAC Name: butan-2-yl 2,3,4-trifluoro-5-(trifluoromethyl)benzoate Traditional Name: 2,3,4-trifluoro-5-(trifluoromethyl)benzoic acid sec-butyl ester Formula: C12H10F6O2 MolecularWeight: 300.197019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=CC(=C(C(=C1F)F)F)C(F)(F)F

Isomeric SMILES

CCC(C)OC(=O)C1=CC(=C(C(=C1F)F)F)C(F)(F)F

InChI

InChI=1S/C12H10F6O2/c1-3-5(2)20-11(19)6-4-7(12(16,17)18)9(14)10(15)8(6)13/h4-5H,3H2,1-2H3