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

Systemtic Name: 4-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexanecarbonitrile CAS Name: 4-(1-nonyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-octyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-nonyl-4-phenylcyclohexa-2,5-dien-1-yl)-1-octylcyclohexane-1-carbonitrile Traditional Name: 4-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexanecarbonitrile Formula: C36H55N MolecularWeight: 501.8286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3CCC(CC3)(CCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3CCC(CC3)(CCCCCCCC)C#N

InChI

InChI=1S/C36H55N/c1-3-5-7-9-11-13-18-26-36(29-21-33(22-30-36)32-19-15-14-16-20-32)34-23-27-35(31-37,28-24-34)25-17-12-10-8-6-4-2/h14-16,19-22,29-30,33-34H,3-13,17-18,23-28H2,1-2H3