1-nonyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile

Systemtic Name: 1-nonyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 1-nonyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile CAS Name: 1-nonyl-4-phenyl-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 1-nonyl-4-phenylcyclohexa-2,5-diene-1-carbonitrile Traditional Name: 1-nonyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Formula: C22H29N MolecularWeight: 307.47236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N/c1-2-3-4-5-6-7-11-16-22(19-23)17-14-21(15-18-22)20-12-9-8-10-13-20/h8-10,12-15,17-18,21H,2-7,11,16H2,1H3