tert-butyl 3-(trifluoromethyl)benzenecarboperoxoate

Systemtic Name: tert-butyl 3-(trifluoromethyl)benzenecarboperoxoate Openeye Name: tert-butyl 3-(trifluoromethyl)benzenecarboperoxoate CAS Name: 3-(trifluoromethyl)benzenecarboperoxoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(trifluoromethyl)benzenecarboperoxoate Traditional Name: 3-(trifluoromethyl)benzenecarboperoxoic acid tert-butyl ester Formula: C12H13F3O3 MolecularWeight: 262.22503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3O3/c1-11(2,3)18-17-10(16)8-5-4-6-9(7-8)12(13,14)15/h4-7H,1-3H3