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

Systemtic Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-nonyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-nonyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-nonyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-nonylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-nonyl-cyclohexanecarbonitrile Formula: C38H57NO MolecularWeight: 543.86528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)CCCC(C)C)C#N

Isomeric SMILES

CCCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)CCCC(C)C)C#N

InChI

InChI=1S/C38H57NO/c1-5-6-7-8-9-10-11-26-38(30-39)27-23-36(24-28-38)34-17-15-33(16-18-34)35-19-21-37(22-20-35)40-29-25-32(4)14-12-13-31(2)3/h15-22,31-32,36H,5-14,23-29H2,1-4H3