2-[4-[2-(4-ethylcyclohexyl)ethynyl]-3,5-bis(fluoranyl)phenyl]-5-pentyl-1,3-dioxane

Systemtic Name: 2-[4-[2-(4-ethylcyclohexyl)ethynyl]-3,5-bis(fluoranyl)phenyl]-5-pentyl-1,3-dioxane Openeye Name: 2-[4-[2-(4-ethylcyclohexyl)ethynyl]-3,5-difluoro-phenyl]-5-pentyl-1,3-dioxane CAS Name: 2-[4-[2-(4-ethylcyclohexyl)ethynyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane IUPAC Name: 2-[4-[2-(4-ethylcyclohexyl)ethynyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane Traditional Name: 5-amyl-2-[4-[2-(4-ethylcyclohexyl)ethynyl]-3,5-difluoro-phenyl]-1,3-dioxane Formula: C25H34F2O2 MolecularWeight: 404.533066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2=CC(=C(C(=C2)F)C#CC3CCC(CC3)CC)F

Isomeric SMILES

CCCCCC1COC(OC1)C2=CC(=C(C(=C2)F)C#CC3CCC(CC3)CC)F

InChI

InChI=1S/C25H34F2O2/c1-3-5-6-7-20-16-28-25(29-17-20)21-14-23(26)22(24(27)15-21)13-12-19-10-8-18(4-2)9-11-19/h14-15,18-20,25H,3-11,16-17H2,1-2H3