methyl (1S,2R,6R)-2-tert-butyl-6-methyl-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,6R)-2-tert-butyl-6-methyl-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,6R)-2-tert-butyl-6-methyl-4-oxo-cyclohexanecarboxylate CAS Name: (1S,2R,6R)-2-tert-butyl-6-methyl-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,6R)-2-tert-butyl-6-methyl-4-oxocyclohexane-1-carboxylate Traditional Name: (1S,2R,6R)-2-tert-butyl-4-keto-6-methyl-cyclohexanecarboxylic acid methyl ester Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(C1C(=O)OC)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3/c1-8-6-9(14)7-10(13(2,3)4)11(8)12(15)16-5/h8,10-11H,6-7H2,1-5H3/t8-,10-,11+/m1/s1