(1S,3S,4S)-3-methanoyl-2,3-dimethyl-4-oxidanyl-cyclohexane-1-carbonitrile

Systemtic Name: (1S,3S,4S)-3-methanoyl-2,3-dimethyl-4-oxidanyl-cyclohexane-1-carbonitrile Openeye Name: (1S,3S,4S)-3-formyl-4-hydroxy-2,3-dimethyl-cyclohexanecarbonitrile CAS Name: (1S,3S,4S)-3-formyl-4-hydroxy-2,3-dimethyl-1-cyclohexanecarbonitrile IUPAC Name: (1S,3S,4S)-3-formyl-4-hydroxy-2,3-dimethylcyclohexane-1-carbonitrile Traditional Name: (1S,3S,4S)-3-formyl-4-hydroxy-2,3-dimethyl-cyclohexanecarbonitrile Formula: C10H15NO2 MolecularWeight: 181.2316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(C1(C)C=O)O)C#N

Isomeric SMILES

CC1[C@H](CC[C@@H]([C@@]1(C)C=O)O)C#N

InChI

InChI=1S/C10H15NO2/c1-7-8(5-11)3-4-9(13)10(7,2)6-12/h6-9,13H,3-4H2,1-2H3/t7?,8-,9+,10+/m1/s1