5-heptyl-2-[2-[4-(4-heptylphenyl)cyclohexyl]ethynyl]benzenecarbonitrile

Systemtic Name: 5-heptyl-2-[2-[4-(4-heptylphenyl)cyclohexyl]ethynyl]benzenecarbonitrile Openeye Name: 5-heptyl-2-[2-[4-(4-heptylphenyl)cyclohexyl]ethynyl]benzonitrile CAS Name: 5-heptyl-2-[2-[4-(4-heptylphenyl)cyclohexyl]ethynyl]benzonitrile IUPAC Name: 5-heptyl-2-[2-[4-(4-heptylphenyl)cyclohexyl]ethynyl]benzonitrile Traditional Name: 5-heptyl-2-[2-[4-(4-heptylphenyl)cyclohexyl]ethynyl]benzonitrile Formula: C35H47N MolecularWeight: 481.75438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=C(C=C(C=C3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=C(C=C(C=C3)CCCCCCC)C#N

InChI

InChI=1S/C35H47N/c1-3-5-7-9-11-13-29-15-21-32(22-16-29)33-23-17-30(18-24-33)19-25-34-26-20-31(27-35(34)28-36)14-12-10-8-6-4-2/h15-16,20-22,26-27,30,33H,3-14,17-18,23-24H2,1-2H3