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

Systemtic Name: 1-hexyl-4-[4-(4-octoxyphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-hexyl-4-[4-(4-octoxyphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-hexyl-4-[4-(4-octoxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-hexyl-4-[4-(4-octoxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-hexyl-4-[4-(4-octoxyphenyl)phenyl]cyclohexanecarbonitrile Formula: C33H47NO MolecularWeight: 473.73238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47NO/c1-3-5-7-9-10-12-26-35-32-19-17-30(18-20-32)28-13-15-29(16-14-28)31-21-24-33(27-34,25-22-31)23-11-8-6-4-2/h13-20,31H,3-12,21-26H2,1-2H3