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

Systemtic Name: 1-decyl-4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-decyl-4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-decyl-4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-decyl-4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-decyl-4-[4-[4-(3,7-dimethyloctoxy)phenyl]phenyl]cyclohexanecarbonitrile Formula: C39H59NO MolecularWeight: 557.89186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)CCCC(C)C)C#N

Isomeric SMILES

CCCCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)CCCC(C)C)C#N

InChI

InChI=1S/C39H59NO/c1-5-6-7-8-9-10-11-12-27-39(31-40)28-24-37(25-29-39)35-18-16-34(17-19-35)36-20-22-38(23-21-36)41-30-26-33(4)15-13-14-32(2)3/h16-23,32-33,37H,5-15,24-30H2,1-4H3