[(E)-1-(2-ethanoylphenyl)-4,4-dimethyl-pent-1-en-3-yl] benzoate

Systemtic Name: [(E)-1-(2-ethanoylphenyl)-4,4-dimethyl-pent-1-en-3-yl] benzoate Openeye Name: [(E)-3-(2-acetylphenyl)-1-tert-butyl-allyl] benzoate CAS Name: benzoic acid [(E)-1-(2-acetylphenyl)-4,4-dimethylpent-1-en-3-yl] ester IUPAC Name: [(E)-1-(2-acetylphenyl)-4,4-dimethylpent-1-en-3-yl] benzoate Traditional Name: benzoic acid [(E)-3-(2-acetylphenyl)-1-tert-butyl-allyl] ester Formula: C22H24O3 MolecularWeight: 336.42416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C=CC(C(C)(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC=CC=C1/C=C/C(C(C)(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H24O3/c1-16(23)19-13-9-8-10-17(19)14-15-20(22(2,3)4)25-21(24)18-11-6-5-7-12-18/h5-15,20H,1-4H3/b15-14+