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

Systemtic Name: 1-hexyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexane-1-carbonitrile Openeye Name: 1-hexyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile CAS Name: 1-hexyl-4-(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-hexyl-4-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)cyclohexane-1-carbonitrile Traditional Name: 1-hexyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile Formula: C33H49N MolecularWeight: 459.74886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H49N/c1-3-5-7-9-10-15-23-33(26-18-30(19-27-33)29-16-12-11-13-17-29)31-20-24-32(28-34,25-21-31)22-14-8-6-4-2/h11-13,16-19,26-27,30-31H,3-10,14-15,20-25H2,1-2H3