[(1S,5S)-5-tert-butyl-2-oxidanylidene-cyclohexyl] benzoate

Systemtic Name: [(1S,5S)-5-tert-butyl-2-oxidanylidene-cyclohexyl] benzoate Openeye Name: [(1S,5S)-5-tert-butyl-2-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,5S)-5-tert-butyl-2-oxocyclohexyl] ester IUPAC Name: [(1S,5S)-5-tert-butyl-2-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1S,5S)-5-tert-butyl-2-keto-cyclohexyl] ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)C(C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[C@H]1CCC(=O)[C@H](C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22O3/c1-17(2,3)13-9-10-14(18)15(11-13)20-16(19)12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3/t13-,15-/m0/s1