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

Systemtic Name: 4-butyl-1-[4-(4-octoxyphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 4-butyl-1-[4-(4-octoxyphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 4-butyl-1-[4-(4-octoxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 4-butyl-1-[4-(4-octoxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 4-butyl-1-[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)C3(CCC(CC3)CCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)CCCC)C#N

InChI

InChI=1S/C31H43NO/c1-3-5-7-8-9-10-24-33-30-18-14-28(15-19-30)27-12-16-29(17-13-27)31(25-32)22-20-26(21-23-31)11-6-4-2/h12-19,26H,3-11,20-24H2,1-2H3