(1R,2S,6S)-2-(5-chloranyl-2-methyl-pentan-2-yl)-6-oxidanyl-cyclohexane-1-carbonitrile

Systemtic Name: (1R,2S,6S)-2-(5-chloranyl-2-methyl-pentan-2-yl)-6-oxidanyl-cyclohexane-1-carbonitrile Openeye Name: (1R,2S,6S)-2-(4-chloro-1,1-dimethyl-butyl)-6-hydroxy-cyclohexanecarbonitrile CAS Name: (1R,2S,6S)-2-(5-chloro-2-methylpentan-2-yl)-6-hydroxy-1-cyclohexanecarbonitrile IUPAC Name: (1R,2S,6S)-2-(5-chloro-2-methylpentan-2-yl)-6-hydroxycyclohexane-1-carbonitrile Traditional Name: (1R,2S,6S)-2-(4-chloro-1,1-dimethyl-butyl)-6-hydroxy-cyclohexanecarbonitrile Formula: C13H22ClNO MolecularWeight: 243.77288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCl)C1CCCC(C1C#N)O

Isomeric SMILES

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

InChI

InChI=1S/C13H22ClNO/c1-13(2,7-4-8-14)11-5-3-6-12(16)10(11)9-15/h10-12,16H,3-8H2,1-2H3/t10-,11-,12-/m0/s1