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

Systemtic Name: 1-octyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 1-octyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile CAS Name: 1-octyl-4-phenyl-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 1-octyl-4-phenylcyclohexa-2,5-diene-1-carbonitrile Traditional Name: 1-octyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Formula: C21H27N MolecularWeight: 293.44578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N/c1-2-3-4-5-6-10-15-21(18-22)16-13-20(14-17-21)19-11-8-7-9-12-19/h7-9,11-14,16-17,20H,2-6,10,15H2,1H3