4-[[4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]cyclohexylidene]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]cyclohexylidene]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]cyclohexylidene]methyl]benzonitrile CAS Name: 4-[[4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]cyclohexylidene]methyl]benzonitrile IUPAC Name: 4-[[4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]cyclohexylidene]methyl]benzonitrile Traditional Name: 4-[[4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]cyclohexylidene]methyl]benzonitrile Formula: C34H35N MolecularWeight: 457.6484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3CCC(=CC4=CC=C(C=C4)C#N)CC3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3CCC(=CC4=CC=C(C=C4)C#N)CC3

InChI

InChI=1S/C34H35N/c1-2-3-4-5-6-27-7-9-28(10-8-27)11-12-29-17-21-33(22-18-29)34-23-19-31(20-24-34)25-30-13-15-32(26-35)16-14-30/h7-10,13-18,21-22,25,34H,2-6,19-20,23-24H2,1H3