2-[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanenitrile

Systemtic Name: 2-[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]acetonitrile Formula: C16H22BrNO MolecularWeight: 324.25598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC#N)Br

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC#N)Br

InChI

InChI=1S/C16H22BrNO/c1-15(2,3)11-16(4,5)12-6-7-14(13(17)10-12)19-9-8-18/h6-7,10H,9,11H2,1-5H3