(2S,3S)-2-oxidanyl-3-phenylmethoxy-octanenitrile

Systemtic Name: (2S,3S)-2-oxidanyl-3-phenylmethoxy-octanenitrile Openeye Name: (2S,3S)-3-benzyloxy-2-hydroxy-octanenitrile CAS Name: (2S,3S)-2-hydroxy-3-phenylmethoxyoctanenitrile IUPAC Name: (2S,3S)-2-hydroxy-3-phenylmethoxyoctanenitrile Traditional Name: (2S,3S)-3-benzoxy-2-hydroxy-caprylonitrile Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C#N)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCC[C@@H]([C@H](C#N)O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO2/c1-2-3-5-10-15(14(17)11-16)18-12-13-8-6-4-7-9-13/h4,6-9,14-15,17H,2-3,5,10,12H2,1H3/t14-,15-/m0/s1