tert-butyl 4-(1-oxidanylidenepentan-3-yl)benzoate

Systemtic Name: tert-butyl 4-(1-oxidanylidenepentan-3-yl)benzoate Openeye Name: tert-butyl 4-(1-ethyl-3-oxo-propyl)benzoate CAS Name: 4-(1-oxopentan-3-yl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-oxopentan-3-yl)benzoate Traditional Name: 4-(1-ethyl-3-keto-propyl)benzoic acid tert-butyl ester Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3/c1-5-12(10-11-17)13-6-8-14(9-7-13)15(18)19-16(2,3)4/h6-9,11-12H,5,10H2,1-4H3