4-[4-(4-heptylphenyl)phenyl]-1-octyl-cyclohexane-1-carbonitrile; 4-[4-(4-hexylphenyl)phenyl]-1-octyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-heptylphenyl)phenyl]-1-octyl-cyclohexane-1-carbonitrile; 4-[4-(4-hexylphenyl)phenyl]-1-octyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-heptylphenyl)phenyl]-1-octyl-cyclohexanecarbonitrile; 4-[4-(4-hexylphenyl)phenyl]-1-octyl-cyclohexanecarbonitrile CAS Name: 4-[4-(4-heptylphenyl)phenyl]-1-octyl-1-cyclohexanecarbonitrile; 4-[4-(4-hexylphenyl)phenyl]-1-octyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-heptylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile; 4-[4-(4-hexylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-heptylphenyl)phenyl]-1-octyl-cyclohexanecarbonitrile; 4-[4-(4-hexylphenyl)phenyl]-1-octyl-cyclohexanecarbonitrile Formula: C67H96N2 MolecularWeight: 929.49254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCC)C#N.CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCC)C#N.CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCC)C#N

InChI

InChI=1S/C34H49N.C33H47N/c1-3-5-7-9-11-13-25-34(28-35)26-23-33(24-27-34)32-21-19-31(20-22-32)30-17-15-29(16-18-30)14-12-10-8-6-4-2;1-3-5-7-9-10-12-24-33(27-34)25-22-32(23-26-33)31-20-18-30(19-21-31)29-16-14-28(15-17-29)13-11-8-6-4-2/h15-22,33H,3-14,23-27H2,1-2H3;14-21,32H,3-13,22-26H2,1-2H3