(4-methoxy-4-oxidanylidene-butan-2-yl) 4-(trifluoromethyl)benzoate

Systemtic Name: (4-methoxy-4-oxidanylidene-butan-2-yl) 4-(trifluoromethyl)benzoate Openeye Name: (3-methoxy-1-methyl-3-oxo-propyl) 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid (4-methoxy-4-oxobutan-2-yl) ester IUPAC Name: (4-methoxy-4-oxobutan-2-yl) 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid (3-keto-3-methoxy-1-methyl-propyl) ester Formula: C13H13F3O4 MolecularWeight: 290.23513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3O4/c1-8(7-11(17)19-2)20-12(18)9-3-5-10(6-4-9)13(14,15)16/h3-6,8H,7H2,1-2H3