2-[4-(4-octoxyphenyl)phenyl]-1-(4-oxidanylbutyl)cyclohexane-1-carbonitrile

Systemtic Name: 2-[4-(4-octoxyphenyl)phenyl]-1-(4-oxidanylbutyl)cyclohexane-1-carbonitrile Openeye Name: 1-(4-hydroxybutyl)-2-[4-(4-octoxyphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(4-hydroxybutyl)-2-[4-(4-octoxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(4-hydroxybutyl)-2-[4-(4-octoxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(4-hydroxybutyl)-2-[4-(4-octoxyphenyl)phenyl]cyclohexanecarbonitrile Formula: C31H43NO2 MolecularWeight: 461.67862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCO)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCO)C#N

InChI

InChI=1S/C31H43NO2/c1-2-3-4-5-6-11-24-34-29-19-17-27(18-20-29)26-13-15-28(16-14-26)30-12-7-8-21-31(30,25-32)22-9-10-23-33/h13-20,30,33H,2-12,21-24H2,1H3