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

Systemtic Name: 4-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-hexyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-hexyl-cyclohexanecarbonitrile CAS Name: 4-(1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-hexyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl)-1-hexylcyclohexane-1-carbonitrile Traditional Name: 4-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-hexyl-cyclohexanecarbonitrile Formula: C32H47N MolecularWeight: 445.72228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3CCC(CC3)(CCCCCC)C#N

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3CCC(CC3)(CCCCCC)C#N

InChI

InChI=1S/C32H47N/c1-3-5-7-9-14-22-32(25-17-29(18-26-32)28-15-11-10-12-16-28)30-19-23-31(27-33,24-20-30)21-13-8-6-4-2/h10-12,15-18,25-26,29-30H,3-9,13-14,19-24H2,1-2H3