1-heptyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexane-1-carbonitrile

Systemtic Name: 1-heptyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexane-1-carbonitrile Openeye Name: 1-heptyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile CAS Name: 1-heptyl-4-(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-heptyl-4-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)cyclohexane-1-carbonitrile Traditional Name: 1-heptyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile Formula: C34H51N MolecularWeight: 473.77544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C34H51N/c1-3-5-7-9-11-16-24-34(27-19-31(20-28-34)30-17-13-12-14-18-30)32-21-25-33(29-35,26-22-32)23-15-10-8-6-4-2/h12-14,17-20,27-28,31-32H,3-11,15-16,21-26H2,1-2H3