methyl (1S,2S)-2-tert-butyl-3,3,5,5-tetradeuterio-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S)-2-tert-butyl-3,3,5,5-tetradeuterio-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S)-2-tert-butyl-3,3,5,5-tetradeuterio-4-oxo-cyclohexanecarboxylate CAS Name: (1S,2S)-2-tert-butyl-3,3,5,5-tetradeuterio-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-tert-butyl-3,3,5,5-tetradeuterio-4-oxocyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-tert-butyl-3,3,5,5-tetradeuterio-4-keto-cyclohexanecarboxylic acid methyl ester Formula: C12H20O3 MolecularWeight: 216.310047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=O)CCC1C(=O)OC

Isomeric SMILES

[2H]C1(C[C@@H]([C@H](C(C1=O)([2H])[2H])C(C)(C)C)C(=O)OC)[2H]

InChI

InChI=1S/C12H20O3/c1-12(2,3)10-7-8(13)5-6-9(10)11(14)15-4/h9-10H,5-7H2,1-4H3/t9-,10-/m0/s1/i5D2,7D2