4-[4-(hydroxymethyl)-2,6-dimethyl-phenoxy]butanenitrile

Systemtic Name: 4-[4-(hydroxymethyl)-2,6-dimethyl-phenoxy]butanenitrile Openeye Name: 4-[4-(hydroxymethyl)-2,6-dimethyl-phenoxy]butanenitrile CAS Name: 4-[4-(hydroxymethyl)-2,6-dimethylphenoxy]butanenitrile IUPAC Name: 4-[4-(hydroxymethyl)-2,6-dimethylphenoxy]butanenitrile Traditional Name: 4-(2,6-dimethyl-4-methylol-phenoxy)butyronitrile Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCC#N)C)CO

Isomeric SMILES

CC1=CC(=CC(=C1OCCCC#N)C)CO

InChI

InChI=1S/C13H17NO2/c1-10-7-12(9-15)8-11(2)13(10)16-6-4-3-5-14/h7-8,15H,3-4,6,9H2,1-2H3