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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)CC1C(C)(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3/c1-12(2,3)10-8-9(14)6-7-13(10,4)11(15)16-5/h10H,6-8H2,1-5H3/t10-,13-/m0/s1