tert-butyl (2E)-5-oxidanylidene-2-(phenylmethylidene)hexanoate

Systemtic Name: tert-butyl (2E)-5-oxidanylidene-2-(phenylmethylidene)hexanoate Openeye Name: tert-butyl (2E)-2-benzylidene-5-oxo-hexanoate CAS Name: (2E)-5-oxo-2-(phenylmethylene)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-benzylidene-5-oxohexanoate Traditional Name: (E)-2-(3-ketobutyl)-3-phenyl-acrylic acid tert-butyl ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=CC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3/c1-13(18)10-11-15(16(19)20-17(2,3)4)12-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3/b15-12+