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

Systemtic Name: (1S,2R,3S)-2,3-dimethyl-3-oxidanyl-1-(1-oxidanylcyclobutyl)cyclohexane-1-carbonitrile Openeye Name: (1S,2R,3S)-3-hydroxy-1-(1-hydroxycyclobutyl)-2,3-dimethyl-cyclohexanecarbonitrile CAS Name: (1S,2R,3S)-3-hydroxy-1-(1-hydroxycyclobutyl)-2,3-dimethyl-1-cyclohexanecarbonitrile IUPAC Name: (1S,2R,3S)-3-hydroxy-1-(1-hydroxycyclobutyl)-2,3-dimethylcyclohexane-1-carbonitrile Traditional Name: (1S,2R,3S)-3-hydroxy-1-(1-hydroxycyclobutyl)-2,3-dimethyl-cyclohexanecarbonitrile Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCCC1(C#N)C2(CCC2)O)(C)O

Isomeric SMILES

C[C@H]1[C@@](CCC[C@]1(C#N)C2(CCC2)O)(C)O

InChI

InChI=1S/C13H21NO2/c1-10-11(2,15)5-3-6-12(10,9-14)13(16)7-4-8-13/h10,15-16H,3-8H2,1-2H3/t10-,11-,12+/m0/s1