[(1R,2S,5S)-5-tert-butyl-2-(2-oxidanylideneethyl)cyclohexyl] 2,2-dimethylpropanoate

Systemtic Name: [(1R,2S,5S)-5-tert-butyl-2-(2-oxidanylideneethyl)cyclohexyl] 2,2-dimethylpropanoate Openeye Name: [(1R,2S,5S)-5-tert-butyl-2-(2-oxoethyl)cyclohexyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1R,2S,5S)-5-tert-butyl-2-(2-oxoethyl)cyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-tert-butyl-2-(2-oxoethyl)cyclohexyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1R,2S,5S)-5-tert-butyl-2-(2-ketoethyl)cyclohexyl] ester Formula: C17H30O3 MolecularWeight: 282.4183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30O3/c1-16(2,3)13-8-7-12(9-10-18)14(11-13)20-15(19)17(4,5)6/h10,12-14H,7-9,11H2,1-6H3/t12-,13-,14+/m0/s1