1-butyl-4-[4-(4-octoxyphenyl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-butyl-4-[4-(4-octoxyphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-(4-octoxyphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-(4-octoxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-(4-octoxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-[4-(4-octoxyphenyl)phenyl]cyclohexanecarbonitrile Formula: C31H43NO MolecularWeight: 445.67922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

InChI

InChI=1S/C31H43NO/c1-3-5-7-8-9-10-24-33-30-17-15-28(16-18-30)26-11-13-27(14-12-26)29-19-22-31(25-32,23-20-29)21-6-4-2/h11-18,29H,3-10,19-24H2,1-2H3