methyl (1S,2R)-2-tert-butyl-2,3,4,5,5-pentadeuterio-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-tert-butyl-2,3,4,5,5-pentadeuterio-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R)-2-tert-butyl-2,3,4,5,5-pentadeuterio-cyclohexanecarboxylate CAS Name: (1S,2R)-2-tert-butyl-2,3,4,5,5-pentadeuterio-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-tert-butyl-2,3,4,5,5-pentadeuteriocyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-tert-butyl-2,3,4,5,5-pentadeuterio-cyclohexanecarboxylic acid methyl ester Formula: C12H22O2 MolecularWeight: 203.332689

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCCC1C(=O)OC

Isomeric SMILES

[2H]C1C(C(C[C@@H]([C@]1([2H])C(C)(C)C)C(=O)OC)([2H])[2H])[2H]

InChI

InChI=1S/C12H22O2/c1-12(2,3)10-8-6-5-7-9(10)11(13)14-4/h9-10H,5-8H2,1-4H3/t9-,10+/m0/s1/i5D2,6D,8D,10D/t6?,8?,9-,10+