(1R,2R,3S)-2,3-dimethyl-3-oxidanyl-1-(2-oxidanylpropan-2-yl)cyclohexane-1-carbonitrile

Systemtic Name: (1R,2R,3S)-2,3-dimethyl-3-oxidanyl-1-(2-oxidanylpropan-2-yl)cyclohexane-1-carbonitrile Openeye Name: (1R,2R,3S)-3-hydroxy-1-(1-hydroxy-1-methyl-ethyl)-2,3-dimethyl-cyclohexanecarbonitrile CAS Name: (1R,2R,3S)-3-hydroxy-1-(2-hydroxypropan-2-yl)-2,3-dimethyl-1-cyclohexanecarbonitrile IUPAC Name: (1R,2R,3S)-3-hydroxy-1-(2-hydroxypropan-2-yl)-2,3-dimethylcyclohexane-1-carbonitrile Traditional Name: (1R,2R,3S)-3-hydroxy-1-(1-hydroxy-1-methyl-ethyl)-2,3-dimethyl-cyclohexanecarbonitrile Formula: C12H21NO2 MolecularWeight: 211.30064

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCCC1(C#N)C(C)(C)O)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO2/c1-9-11(4,15)6-5-7-12(9,8-13)10(2,3)14/h9,14-15H,5-7H2,1-4H3/t9-,11-,12-/m0/s1