4-(2,3,6-trimethylphenoxy)butanenitrile

Systemtic Name: 4-(2,3,6-trimethylphenoxy)butanenitrile Openeye Name: 4-(2,3,6-trimethylphenoxy)butanenitrile CAS Name: 4-(2,3,6-trimethylphenoxy)butanenitrile IUPAC Name: 4-(2,3,6-trimethylphenoxy)butanenitrile Traditional Name: 4-(2,3,6-trimethylphenoxy)butyronitrile Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCCCC#N)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCCCC#N)C

InChI

InChI=1S/C13H17NO/c1-10-6-7-11(2)13(12(10)3)15-9-5-4-8-14/h6-7H,4-5,9H2,1-3H3