(2S)-2-[(1R,2S,6R)-2-methanoyl-6-methyl-cyclohexyl]propanenitrile

Systemtic Name: (2S)-2-[(1R,2S,6R)-2-methanoyl-6-methyl-cyclohexyl]propanenitrile Openeye Name: (2S)-2-[(1R,2S,6R)-2-formyl-6-methyl-cyclohexyl]propanenitrile CAS Name: (2S)-2-[(1R,2S,6R)-2-formyl-6-methylcyclohexyl]propanenitrile IUPAC Name: (2S)-2-[(1R,2S,6R)-2-formyl-6-methylcyclohexyl]propanenitrile Traditional Name: (2S)-2-[(1R,2S,6R)-2-formyl-6-methyl-cyclohexyl]propionitrile Formula: C11H17NO MolecularWeight: 179.25878

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C(C)C#N)C=O

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@H]1[C@H](C)C#N)C=O

InChI

InChI=1S/C11H17NO/c1-8-4-3-5-10(7-13)11(8)9(2)6-12/h7-11H,3-5H2,1-2H3/t8-,9-,10-,11-/m1/s1