methyl 5-tert-butyl-2,2,5-trideuterio-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 5-tert-butyl-2,2,5-trideuterio-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 5-tert-butyl-2,2,5-trideuterio-cyclohex-3-ene-1-carboxylate CAS Name: 5-tert-butyl-2,2,5-trideuterio-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-2,2,5-trideuteriocyclohex-3-ene-1-carboxylate Traditional Name: 5-tert-butyl-2,2,5-trideuterio-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C12H20O2 MolecularWeight: 199.304485

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(CC=C1)C(=O)OC

Isomeric SMILES

[2H]C1(C=CC(CC1C(=O)OC)([2H])C(C)(C)C)[2H]

InChI

InChI=1S/C12H20O2/c1-12(2,3)10-7-5-6-9(8-10)11(13)14-4/h5,7,9-10H,6,8H2,1-4H3/i6D2,10D