2-[(2-bromanyl-4,6-ditert-butyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-bromanyl-4,6-ditert-butyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[(2-bromo-4,6-ditert-butyl-phenoxy)methyl]benzonitrile CAS Name: 2-[(2-bromo-4,6-ditert-butylphenoxy)methyl]benzonitrile IUPAC Name: 2-[(2-bromo-4,6-ditert-butylphenoxy)methyl]benzonitrile Traditional Name: 2-[(2-bromo-4,6-ditert-butyl-phenoxy)methyl]benzonitrile Formula: C22H26BrNO MolecularWeight: 400.35194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2C#N)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2C#N)C(C)(C)C

InChI

InChI=1S/C22H26BrNO/c1-21(2,3)17-11-18(22(4,5)6)20(19(23)12-17)25-14-16-10-8-7-9-15(16)13-24/h7-12H,14H2,1-6H3