4-(3,5-ditert-butyl-4-oxidanyl-phenyl)benzenecarbonitrile

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)benzenecarbonitrile Openeye Name: 4-(3,5-ditert-butyl-4-hydroxy-phenyl)benzonitrile CAS Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)benzonitrile IUPAC Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)benzonitrile Traditional Name: 4-(3,5-ditert-butyl-4-hydroxy-phenyl)benzonitrile Formula: C21H25NO MolecularWeight: 307.4293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H25NO/c1-20(2,3)17-11-16(12-18(19(17)23)21(4,5)6)15-9-7-14(13-22)8-10-15/h7-12,23H,1-6H3