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

Systemtic Name: 1-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethynyl]-4-(trifluoromethyloxy)benzene Openeye Name: 1-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethynyl]-4-(trifluoromethoxy)benzene CAS Name: 1-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethynyl]-4-(trifluoromethoxy)benzene IUPAC Name: 1-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethynyl]-4-(trifluoromethoxy)benzene Traditional Name: 1-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethynyl]-4-(trifluoromethoxy)benzene Formula: C28H39F3O MolecularWeight: 448.60387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2CCC(CC2)C#CC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2CCC(CC2)C#CC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C28H39F3O/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/h14-15,20-23,25-26H,2-7,10-13,16-19H2,1H3