2-(4-tert-butyl-2,6-dimethyl-3-oxidanyl-phenyl)ethanenitrile

Systemtic Name: 2-(4-tert-butyl-2,6-dimethyl-3-oxidanyl-phenyl)ethanenitrile Openeye Name: 2-(4-tert-butyl-3-hydroxy-2,6-dimethyl-phenyl)acetonitrile CAS Name: 2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetonitrile IUPAC Name: 2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetonitrile Traditional Name: 2-(4-tert-butyl-3-hydroxy-2,6-dimethyl-phenyl)acetonitrile Formula: C14H19NO MolecularWeight: 217.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CC#N)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1CC#N)C)O)C(C)(C)C

InChI

InChI=1S/C14H19NO/c1-9-8-12(14(3,4)5)13(16)10(2)11(9)6-7-15/h8,16H,6H2,1-5H3