4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-hexyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-hexyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-hexyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-hexyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-hexylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-hexyl-cyclohexanecarbonitrile Formula: C35H51NO MolecularWeight: 501.78554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)CCCC(C)C)C#N

Isomeric SMILES

CCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)CCCC(C)C)C#N

InChI

InChI=1S/C35H51NO/c1-5-6-7-8-23-35(27-36)24-20-33(21-25-35)31-14-12-30(13-15-31)32-16-18-34(19-17-32)37-26-22-29(4)11-9-10-28(2)3/h12-19,28-29,33H,5-11,20-26H2,1-4H3