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

Systemtic Name: methyl 3-tert-butyl-2,2,5,5-tetradeuterio-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-tert-butyl-2,2,5,5-tetradeuterio-cyclohex-3-ene-1-carboxylate CAS Name: 3-tert-butyl-2,2,5,5-tetradeuterio-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-tert-butyl-2,2,5,5-tetradeuteriocyclohex-3-ene-1-carboxylate Traditional Name: 3-tert-butyl-2,2,5,5-tetradeuterio-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C12H20O2 MolecularWeight: 200.310647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O2/c1-12(2,3)10-7-5-6-9(8-10)11(13)14-4/h7,9H,5-6,8H2,1-4H3/i5D2,8D2