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

Systemtic Name: 1-heptyl-4-[4-[2-[4-(trifluoromethyloxy)phenyl]ethynyl]cyclohexyl]benzene Openeye Name: 1-heptyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene CAS Name: 1-heptyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene IUPAC Name: 1-heptyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene Traditional Name: 1-heptyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene Formula: C28H33F3O MolecularWeight: 442.55623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C28H33F3O/c1-2-3-4-5-6-7-22-10-16-25(17-11-22)26-18-12-23(13-19-26)8-9-24-14-20-27(21-15-24)32-28(29,30)31/h10-11,14-17,20-21,23,26H,2-7,12-13,18-19H2,1H3