4-[4-[2-[4-(4-hexylphenyl)cyclohexen-1-yl]ethynyl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-[4-(4-hexylphenyl)cyclohexen-1-yl]ethynyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-[4-(4-hexylphenyl)cyclohexen-1-yl]ethynyl]phenyl]benzonitrile CAS Name: 4-[4-[2-[4-(4-hexylphenyl)-1-cyclohexenyl]ethynyl]phenyl]benzonitrile IUPAC Name: 4-[4-[2-[4-(4-hexylphenyl)cyclohexen-1-yl]ethynyl]phenyl]benzonitrile Traditional Name: 4-[4-[2-[4-(4-hexylphenyl)cyclohexen-1-yl]ethynyl]phenyl]benzonitrile Formula: C33H33N MolecularWeight: 443.62182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C33H33N/c1-2-3-4-5-6-26-9-17-30(18-10-26)31-19-11-27(12-20-31)7-8-28-13-21-32(22-14-28)33-23-15-29(25-34)16-24-33/h9-11,13-18,21-24,31H,2-6,12,19-20H2,1H3