4-[4-(5-bromanylpentoxy)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-bromanylpentoxy)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(5-bromopentoxy)phenyl]benzonitrile CAS Name: 4-[4-(5-bromopentoxy)phenyl]benzonitrile IUPAC Name: 4-[4-(5-bromopentoxy)phenyl]benzonitrile Traditional Name: 4-[4-(5-bromopentoxy)phenyl]benzonitrile Formula: C18H18BrNO MolecularWeight: 344.24562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCCCCBr

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCCCCBr

InChI

InChI=1S/C18H18BrNO/c19-12-2-1-3-13-21-18-10-8-17(9-11-18)16-6-4-15(14-20)5-7-16/h4-11H,1-3,12-13H2