(3,3-dimethyl-2-oxidanylidene-butyl) 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(4-acetyloxyphenyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H22O5 MolecularWeight: 354.39638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H22O5/c1-14(22)26-18-11-9-16(10-12-18)15-5-7-17(8-6-15)20(24)25-13-19(23)21(2,3)4/h5-12H,13H2,1-4H3