(1R,2S,3R)-2-(4-chloranylbutyl)-3-methyl-3-oxidanyl-cyclohexane-1-carbonitrile

Systemtic Name: (1R,2S,3R)-2-(4-chloranylbutyl)-3-methyl-3-oxidanyl-cyclohexane-1-carbonitrile Openeye Name: (1R,2S,3R)-2-(4-chlorobutyl)-3-hydroxy-3-methyl-cyclohexanecarbonitrile CAS Name: (1R,2S,3R)-2-(4-chlorobutyl)-3-hydroxy-3-methyl-1-cyclohexanecarbonitrile IUPAC Name: (1R,2S,3R)-2-(4-chlorobutyl)-3-hydroxy-3-methylcyclohexane-1-carbonitrile Traditional Name: (1R,2S,3R)-2-(4-chlorobutyl)-3-hydroxy-3-methyl-cyclohexanecarbonitrile Formula: C12H20ClNO MolecularWeight: 229.7463

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1CCCCCl)C#N)O

Isomeric SMILES

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

InChI

InChI=1S/C12H20ClNO/c1-12(15)7-4-5-10(9-14)11(12)6-2-3-8-13/h10-11,15H,2-8H2,1H3/t10-,11-,12+/m0/s1