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

Systemtic Name: 2-[2-[4-(4-chloranyl-3-fluoranyl-phenyl)phenyl]ethynyl]-5-pentyl-1,3-dioxane Openeye Name: 2-[2-[4-(4-chloro-3-fluoro-phenyl)phenyl]ethynyl]-5-pentyl-1,3-dioxane CAS Name: 2-[2-[4-(4-chloro-3-fluorophenyl)phenyl]ethynyl]-5-pentyl-1,3-dioxane IUPAC Name: 2-[2-[4-(4-chloro-3-fluorophenyl)phenyl]ethynyl]-5-pentyl-1,3-dioxane Traditional Name: 5-amyl-2-[2-[4-(4-chloro-3-fluoro-phenyl)phenyl]ethynyl]-1,3-dioxane Formula: C23H24ClFO2 MolecularWeight: 386.886863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C#CC2=CC=C(C=C2)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CCCCCC1COC(OC1)C#CC2=CC=C(C=C2)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C23H24ClFO2/c1-2-3-4-5-18-15-26-23(27-16-18)13-8-17-6-9-19(10-7-17)20-11-12-21(24)22(25)14-20/h6-7,9-12,14,18,23H,2-5,15-16H2,1H3