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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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