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

Systemtic Name: (1S,2R,3S)-2-methyl-3-oxidanyl-cyclohexane-1-carbonitrile Openeye Name: (1S,2R,3S)-3-hydroxy-2-methyl-cyclohexanecarbonitrile CAS Name: (1S,2R,3S)-3-hydroxy-2-methyl-1-cyclohexanecarbonitrile IUPAC Name: (1S,2R,3S)-3-hydroxy-2-methylcyclohexane-1-carbonitrile Traditional Name: (1S,2R,3S)-3-hydroxy-2-methyl-cyclohexanecarbonitrile Formula: C8H13NO MolecularWeight: 139.19492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCCC1O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C8H13NO/c1-6-7(5-9)3-2-4-8(6)10/h6-8,10H,2-4H2,1H3/t6-,7-,8+/m1/s1