2-[4-(4-octan-2-yloxyphenyl)phenyl]-1-(9-oxidanylnonyl)cyclohexane-1-carbonitrile

Systemtic Name: 2-[4-(4-octan-2-yloxyphenyl)phenyl]-1-(9-oxidanylnonyl)cyclohexane-1-carbonitrile Openeye Name: 1-(9-hydroxynonyl)-2-[4-[4-(1-methylheptoxy)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-(9-hydroxynonyl)-2-[4-(4-octan-2-yloxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(9-hydroxynonyl)-2-[4-(4-octan-2-yloxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(9-hydroxynonyl)-2-[4-[4-(1-methylheptoxy)phenyl]phenyl]cyclohexanecarbonitrile Formula: C36H53NO2 MolecularWeight: 531.81152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCCCCCCO)C#N

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCCCCCCO)C#N

InChI

InChI=1S/C36H53NO2/c1-3-4-5-11-16-30(2)39-34-24-22-32(23-25-34)31-18-20-33(21-19-31)35-17-12-14-27-36(35,29-37)26-13-9-7-6-8-10-15-28-38/h18-25,30,35,38H,3-17,26-28H2,1-2H3