5-tert-butyl-2,2,5-trideuterio-cyclohex-3-ene-1-carbonitrile

Systemtic Name: 5-tert-butyl-2,2,5-trideuterio-cyclohex-3-ene-1-carbonitrile Openeye Name: 5-tert-butyl-2,2,5-trideuterio-cyclohex-3-ene-1-carbonitrile CAS Name: 5-tert-butyl-2,2,5-trideuterio-1-cyclohex-3-enecarbonitrile IUPAC Name: 5-tert-butyl-2,2,5-trideuteriocyclohex-3-ene-1-carbonitrile Traditional Name: 5-tert-butyl-2,2,5-trideuterio-cyclohex-3-ene-1-carbonitrile Formula: C11H17N MolecularWeight: 166.277865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(CC=C1)C#N

Isomeric SMILES

[2H]C1(C=CC(CC1C#N)([2H])C(C)(C)C)[2H]

InChI

InChI=1S/C11H17N/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4,6,9-10H,5,7H2,1-3H3/i5D2,10D