2-(2-octylphenyl)benzenecarbonitrile

Systemtic Name: 2-(2-octylphenyl)benzenecarbonitrile Openeye Name: 2-(2-octylphenyl)benzonitrile CAS Name: 2-(2-octylphenyl)benzonitrile IUPAC Name: 2-(2-octylphenyl)benzonitrile Traditional Name: 2-(2-octylphenyl)benzonitrile Formula: C21H25N MolecularWeight: 291.4299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C2=CC=CC=C2C#N

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C2=CC=CC=C2C#N

InChI

InChI=1S/C21H25N/c1-2-3-4-5-6-7-12-18-13-8-10-15-20(18)21-16-11-9-14-19(21)17-22/h8-11,13-16H,2-7,12H2,1H3