4-(3-bromanyl-2,4-ditert-butyl-cyclohexa-1,3-dien-1-yl)benzenecarbonitrile

Systemtic Name: 4-(3-bromanyl-2,4-ditert-butyl-cyclohexa-1,3-dien-1-yl)benzenecarbonitrile Openeye Name: 4-(3-bromo-2,4-ditert-butyl-cyclohexa-1,3-dien-1-yl)benzonitrile CAS Name: 4-(3-bromo-2,4-ditert-butyl-1-cyclohexa-1,3-dienyl)benzonitrile IUPAC Name: 4-(3-bromo-2,4-ditert-butylcyclohexa-1,3-dien-1-yl)benzonitrile Traditional Name: 4-(3-bromo-2,4-ditert-butyl-cyclohexa-1,3-dien-1-yl)benzonitrile Formula: C21H26BrN MolecularWeight: 372.34184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(CC1)C2=CC=C(C=C2)C#N)C(C)(C)C)Br

Isomeric SMILES

CC(C)(C)C1=C(C(=C(CC1)C2=CC=C(C=C2)C#N)C(C)(C)C)Br

InChI

InChI=1S/C21H26BrN/c1-20(2,3)17-12-11-16(18(19(17)22)21(4,5)6)15-9-7-14(13-23)8-10-15/h7-10H,11-12H2,1-6H3