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

Systemtic Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-octyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-octyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-octyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-octylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-octyl-cyclohexanecarbonitrile Formula: C37H55NO MolecularWeight: 529.8387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)CCCC(C)C)C#N

Isomeric SMILES

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)CCCC(C)C)C#N

InChI

InChI=1S/C37H55NO/c1-5-6-7-8-9-10-25-37(29-38)26-22-35(23-27-37)33-16-14-32(15-17-33)34-18-20-36(21-19-34)39-28-24-31(4)13-11-12-30(2)3/h14-21,30-31,35H,5-13,22-28H2,1-4H3