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

Systemtic Name: (1R,2R,3S,4R)-2,3,4,5,5-pentadeuterio-2-methyl-cyclohexane-1-carbonitrile Openeye Name: (1R,2R,3S,4R)-2,3,4,5,5-pentadeuterio-2-methyl-cyclohexanecarbonitrile CAS Name: (1R,2R,3S,4R)-2,3,4,5,5-pentadeuterio-2-methyl-1-cyclohexanecarbonitrile IUPAC Name: (1R,2R,3S,4R)-2,3,4,5,5-pentadeuterio-2-methylcyclohexane-1-carbonitrile Traditional Name: (1R,2R,3S,4R)-2,3,4,5,5-pentadeuterio-2-methyl-cyclohexanecarbonitrile Formula: C8H13N MolecularWeight: 128.226329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1C#N

Isomeric SMILES

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

InChI

InChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h7-8H,2-5H2,1H3/t7-,8+/m1/s1/i2D,3D2,4D,7D/t2-,4-,7+,8-/m0