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

Systemtic Name: 1-butyl-4-[4-[2-[4-(trifluoromethyloxy)phenyl]ethynyl]cyclohexyl]benzene Openeye Name: 1-butyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene CAS Name: 1-butyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene IUPAC Name: 1-butyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene Traditional Name: 1-butyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl]benzene Formula: C25H27F3O MolecularWeight: 400.47649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C25H27F3O/c1-2-3-4-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-6-21-11-17-24(18-12-21)29-25(26,27)28/h7-8,11-14,17-18,20,23H,2-4,9-10,15-16H2,1H3