4-[4-(4-octylphenyl)phenyl]-1-(3-oxidanylidenecyclohexyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-octylphenyl)phenyl]-1-(3-oxidanylidenecyclohexyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-octylphenyl)phenyl]-1-(3-oxocyclohexyl)cyclohexanecarbonitrile CAS Name: 4-[4-(4-octylphenyl)phenyl]-1-(3-oxocyclohexyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-octylphenyl)phenyl]-1-(3-oxocyclohexyl)cyclohexane-1-carbonitrile Traditional Name: 1-(3-ketocyclohexyl)-4-[4-(4-octylphenyl)phenyl]cyclohexanecarbonitrile Formula: C33H43NO MolecularWeight: 469.70062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCCC(=O)C4

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCCC(=O)C4

InChI

InChI=1S/C33H43NO/c1-2-3-4-5-6-7-9-26-12-14-27(15-13-26)28-16-18-29(19-17-28)30-20-22-33(25-34,23-21-30)31-10-8-11-32(35)24-31/h12-19,30-31H,2-11,20-24H2,1H3