tert-butyl 4-(1-oxidanylidenepropan-2-yl)benzoate

Systemtic Name: tert-butyl 4-(1-oxidanylidenepropan-2-yl)benzoate Openeye Name: tert-butyl 4-(1-methyl-2-oxo-ethyl)benzoate CAS Name: 4-(1-oxopropan-2-yl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-oxopropan-2-yl)benzoate Traditional Name: 4-(2-keto-1-methyl-ethyl)benzoic acid tert-butyl ester Formula: C14H18O3 MolecularWeight: 234.29092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-10(9-15)11-5-7-12(8-6-11)13(16)17-14(2,3)4/h5-10H,1-4H3