4-[4-(4-heptylsulfanylphenyl)phenyl]-1-octyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-heptylsulfanylphenyl)phenyl]-1-octyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-heptylsulfanylphenyl)phenyl]-1-octyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(heptylthio)phenyl]phenyl]-1-octyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-heptylsulfanylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[4-(heptylthio)phenyl]phenyl]-1-octyl-cyclohexanecarbonitrile Formula: C34H49NS MolecularWeight: 503.82456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H49NS/c1-3-5-7-9-10-12-24-34(28-35)25-22-32(23-26-34)30-16-14-29(15-17-30)31-18-20-33(21-19-31)36-27-13-11-8-6-4-2/h14-21,32H,3-13,22-27H2,1-2H3