1-hexyl-4-[4-[2-[4-(trifluoromethyloxy)phenyl]ethynyl]cyclohexyl]benzene

Systemtic Name: 1-hexyl-4-[4-[2-[4-(trifluoromethyloxy)phenyl]ethynyl]cyclohexyl]benzene Openeye Name: 1-hexyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene CAS Name: 1-hexyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene IUPAC Name: 1-hexyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene Traditional Name: 1-hexyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene Formula: C27H31F3O MolecularWeight: 428.52965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C27H31F3O/c1-2-3-4-5-6-21-9-15-24(16-10-21)25-17-11-22(12-18-25)7-8-23-13-19-26(20-14-23)31-27(28,29)30/h9-10,13-16,19-20,22,25H,2-6,11-12,17-18H2,1H3