2-[4-(4-octylphenyl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(4-octylphenyl)phenyl]ethanenitrile Openeye Name: 2-[4-(4-octylphenyl)phenyl]acetonitrile CAS Name: 2-[4-(4-octylphenyl)phenyl]acetonitrile IUPAC Name: 2-[4-(4-octylphenyl)phenyl]acetonitrile Traditional Name: 2-[4-(4-octylphenyl)phenyl]acetonitrile Formula: C22H27N MolecularWeight: 305.45648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CC#N

InChI

InChI=1S/C22H27N/c1-2-3-4-5-6-7-8-19-9-13-21(14-10-19)22-15-11-20(12-16-22)17-18-23/h9-16H,2-8,17H2,1H3