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

Systemtic Name: methyl (1S,2S)-2,3,4,5,5-pentadeuterio-2-methyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S)-2,3,4,5,5-pentadeuterio-2-methyl-cyclohexanecarboxylate CAS Name: (1S,2S)-2,3,4,5,5-pentadeuterio-2-methyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2,3,4,5,5-pentadeuterio-2-methylcyclohexane-1-carboxylate Traditional Name: (1S,2S)-2,3,4,5,5-pentadeuterio-2-methyl-cyclohexanecarboxylic acid methyl ester Formula: C9H16O2 MolecularWeight: 161.252949

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C9H16O2/c1-7-5-3-4-6-8(7)9(10)11-2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1/i3D,4D2,5D,7D/t3?,5?,7-,8-