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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C=CCCC1C#N

Isomeric SMILES

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

InChI

InChI=1S/C11H17N/c1-11(2,3)10-7-5-4-6-9(10)8-12/h5,7,9-10H,4,6H2,1-3H3/i4D2,10D