7-(3,5-ditert-butylphenoxy)heptanenitrile

Systemtic Name: 7-(3,5-ditert-butylphenoxy)heptanenitrile Openeye Name: 7-(3,5-ditert-butylphenoxy)heptanenitrile CAS Name: 7-(3,5-ditert-butylphenoxy)heptanenitrile IUPAC Name: 7-(3,5-ditert-butylphenoxy)heptanenitrile Traditional Name: 7-(3,5-ditert-butylphenoxy)enanthonitrile Formula: C21H33NO MolecularWeight: 315.49282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO/c1-20(2,3)17-14-18(21(4,5)6)16-19(15-17)23-13-11-9-7-8-10-12-22/h14-16H,7-11,13H2,1-6H3