3-oxidanylidene-2-phenyl-octanenitrile

Systemtic Name: 3-oxidanylidene-2-phenyl-octanenitrile Openeye Name: 3-oxo-2-phenyl-octanenitrile CAS Name: 3-oxo-2-phenyloctanenitrile IUPAC Name: 3-oxo-2-phenyloctanenitrile Traditional Name: 3-keto-2-phenyl-caprylonitrile Formula: C14H17NO MolecularWeight: 215.29088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO/c1-2-3-5-10-14(16)13(11-15)12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10H2,1H3