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

Systemtic Name: (1R,2R,3S)-1-but-3-enyl-2,3-dimethyl-3-oxidanyl-cyclohexane-1-carbonitrile Openeye Name: (1R,2R,3S)-1-but-3-enyl-3-hydroxy-2,3-dimethyl-cyclohexanecarbonitrile CAS Name: (1R,2R,3S)-1-but-3-enyl-3-hydroxy-2,3-dimethyl-1-cyclohexanecarbonitrile IUPAC Name: (1R,2R,3S)-1-but-3-enyl-3-hydroxy-2,3-dimethylcyclohexane-1-carbonitrile Traditional Name: (1R,2R,3S)-1-but-3-enyl-3-hydroxy-2,3-dimethyl-cyclohexanecarbonitrile Formula: C13H21NO MolecularWeight: 207.31194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO/c1-4-5-8-13(10-14)9-6-7-12(3,15)11(13)2/h4,11,15H,1,5-9H2,2-3H3/t11-,12-,13+/m0/s1