2-[(4S,5R)-4-methanoyl-11-oxaspiro[4.6]undecan-4-yl]ethanenitrile

Systemtic Name: 2-[(4S,5R)-4-methanoyl-11-oxaspiro[4.6]undecan-4-yl]ethanenitrile Openeye Name: 2-[(4S,5R)-4-formyl-11-oxaspiro[4.6]undecan-4-yl]acetonitrile CAS Name: 2-[(4S,5R)-4-formyl-11-oxaspiro[4.6]undecan-4-yl]acetonitrile IUPAC Name: 2-[(4S,5R)-4-formyl-11-oxaspiro[4.6]undecan-4-yl]acetonitrile Traditional Name: 2-[(4S,5R)-4-formyl-11-oxaspiro[4.6]undecan-4-yl]acetonitrile Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CCCC2(CC#N)C=O)OCC1

Isomeric SMILES

C1CC[C@]2(CCC[C@@]2(CC#N)C=O)OCC1

InChI

InChI=1S/C13H19NO2/c14-9-8-12(11-15)5-4-7-13(12)6-2-1-3-10-16-13/h11H,1-8,10H2/t12-,13-/m1/s1