2-[(1S,2S)-2-[(E)-6-methyl-5-oxidanyl-hept-2-enyl]cyclohexyl]ethanenitrile

Systemtic Name: 2-[(1S,2S)-2-[(E)-6-methyl-5-oxidanyl-hept-2-enyl]cyclohexyl]ethanenitrile Openeye Name: 2-[(1S,2S)-2-[(E)-5-hydroxy-6-methyl-hept-2-enyl]cyclohexyl]acetonitrile CAS Name: 2-[(1S,2S)-2-[(E)-5-hydroxy-6-methylhept-2-enyl]cyclohexyl]acetonitrile IUPAC Name: 2-[(1S,2S)-2-[(E)-5-hydroxy-6-methylhept-2-enyl]cyclohexyl]acetonitrile Traditional Name: 2-[(1S,2S)-2-[(E)-5-hydroxy-6-methyl-hept-2-enyl]cyclohexyl]acetonitrile Formula: C16H27NO MolecularWeight: 249.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC=CCC1CCCCC1CC#N)O

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO/c1-13(2)16(18)10-6-5-8-14-7-3-4-9-15(14)11-12-17/h5-6,13-16,18H,3-4,7-11H2,1-2H3/b6-5+/t14-,15-,16?/m0/s1