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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C=CCCC1C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H20O2/c1-12(2,3)10-8-6-5-7-9(10)11(13)14-4/h6,8-10H,5,7H2,1-4H3/i5D2,10D