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

Systemtic Name: methyl (1S,4S)-4-tert-butyl-2,2,3,4,5,5-hexadeuterio-cyclohexane-1-carboxylate Openeye Name: methyl (1S,4S)-4-tert-butyl-2,2,3,4,5,5-hexadeuterio-cyclohexanecarboxylate CAS Name: (1S,4S)-4-tert-butyl-2,2,3,4,5,5-hexadeuterio-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,4S)-4-tert-butyl-2,2,3,4,5,5-hexadeuteriocyclohexane-1-carboxylate Traditional Name: (1S,4S)-4-tert-butyl-2,2,3,4,5,5-hexadeuterio-cyclohexanecarboxylic acid methyl ester Formula: C12H22O2 MolecularWeight: 204.338851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H22O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h9-10H,5-8H2,1-4H3/t9-,10+/i5D2,7D,8D2,10D/t7?,9-,10+/m1/s1