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

Systemtic Name: 1-butyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile CAS Name: 1-butyl-4-(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile Formula: C31H45N MolecularWeight: 431.6957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45N/c1-3-5-7-8-9-13-21-31(24-16-28(17-25-31)27-14-11-10-12-15-27)29-18-22-30(26-32,23-19-29)20-6-4-2/h10-12,14-17,24-25,28-29H,3-9,13,18-23H2,1-2H3