1-heptyl-4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-heptyl-4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-heptyl-4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-heptyl-4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-heptyl-4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-heptyl-4-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C39H57N MolecularWeight: 539.87658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCCCCC)C#N

InChI

InChI=1S/C39H57N/c1-3-5-7-9-11-13-32-14-16-33(17-15-32)34-18-20-35(21-19-34)36-22-24-37(25-23-36)38-26-29-39(31-40,30-27-38)28-12-10-8-6-4-2/h18-25,32-33,38H,3-17,26-30H2,1-2H3