4,4-dimethyl-3-oxidanyl-2-phenyl-pentanenitrile

Systemtic Name: 4,4-dimethyl-3-oxidanyl-2-phenyl-pentanenitrile Openeye Name: 3-hydroxy-4,4-dimethyl-2-phenyl-pentanenitrile CAS Name: 3-hydroxy-4,4-dimethyl-2-phenylpentanenitrile IUPAC Name: 3-hydroxy-4,4-dimethyl-2-phenylpentanenitrile Traditional Name: 3-hydroxy-4,4-dimethyl-2-phenyl-valeronitrile Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-13(2,3)12(15)11(9-14)10-7-5-4-6-8-10/h4-8,11-12,15H,1-3H3