2-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)ethanenitrile

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)ethanenitrile Openeye Name: 2-(4-bromo-2-tert-butyl-6-methyl-phenoxy)acetonitrile CAS Name: 2-(4-bromo-2-tert-butyl-6-methylphenoxy)acetonitrile IUPAC Name: 2-(4-bromo-2-tert-butyl-6-methylphenoxy)acetonitrile Traditional Name: 2-(4-bromo-2-tert-butyl-6-methyl-phenoxy)acetonitrile Formula: C13H16BrNO MolecularWeight: 282.17624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC#N)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC#N)C(C)(C)C)Br

InChI

InChI=1S/C13H16BrNO/c1-9-7-10(14)8-11(13(2,3)4)12(9)16-6-5-15/h7-8H,6H2,1-4H3