(1S,2R,3S,4R)-2-tert-butyl-2,3,4,5,5-pentadeuterio-cyclohexane-1-carbonitrile

Systemtic Name: (1S,2R,3S,4R)-2-tert-butyl-2,3,4,5,5-pentadeuterio-cyclohexane-1-carbonitrile Openeye Name: (1S,2R,3S,4R)-2-tert-butyl-2,3,4,5,5-pentadeuterio-cyclohexanecarbonitrile CAS Name: (1S,2R,3S,4R)-2-tert-butyl-2,3,4,5,5-pentadeuterio-1-cyclohexanecarbonitrile IUPAC Name: (1S,2R,3S,4R)-2-tert-butyl-2,3,4,5,5-pentadeuteriocyclohexane-1-carbonitrile Traditional Name: (1S,2R,3S,4R)-2-tert-butyl-2,3,4,5,5-pentadeuterio-cyclohexanecarbonitrile Formula: C11H19N MolecularWeight: 170.306069

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCCC1C#N

Isomeric SMILES

[H][C@@]1([C@@](C(C[C@@H]([C@]1([2H])C(C)(C)C)C#N)([2H])[2H])([H])[2H])[2H]

InChI

InChI=1S/C11H19N/c1-11(2,3)10-7-5-4-6-9(10)8-12/h9-10H,4-7H2,1-3H3/t9-,10-/m1/s1/i4D2,5D,7D,10D/t5-,7-,9+,10+/m0