3-(4-nonylphenyl)-4-phenyl-benzenecarbonitrile

Systemtic Name: 3-(4-nonylphenyl)-4-phenyl-benzenecarbonitrile Openeye Name: 3-(4-nonylphenyl)-4-phenyl-benzonitrile CAS Name: 3-(4-nonylphenyl)-4-phenylbenzonitrile IUPAC Name: 3-(4-nonylphenyl)-4-phenylbenzonitrile Traditional Name: 3-(4-nonylphenyl)-4-phenyl-benzonitrile Formula: C28H31N MolecularWeight: 381.55244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C28H31N/c1-2-3-4-5-6-7-9-12-23-15-18-26(19-16-23)28-21-24(22-29)17-20-27(28)25-13-10-8-11-14-25/h8,10-11,13-21H,2-7,9,12H2,1H3