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

Systemtic Name: 5-butyl-2-[2-[4-(4-chloranyl-3-fluoranyl-phenyl)phenyl]ethynyl]-1,3-dioxane Openeye Name: 5-butyl-2-[2-[4-(4-chloro-3-fluoro-phenyl)phenyl]ethynyl]-1,3-dioxane CAS Name: 5-butyl-2-[2-[4-(4-chloro-3-fluorophenyl)phenyl]ethynyl]-1,3-dioxane IUPAC Name: 5-butyl-2-[2-[4-(4-chloro-3-fluorophenyl)phenyl]ethynyl]-1,3-dioxane Traditional Name: 5-butyl-2-[2-[4-(4-chloro-3-fluoro-phenyl)phenyl]ethynyl]-1,3-dioxane Formula: C22H22ClFO2 MolecularWeight: 372.860283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)C#CC2=CC=C(C=C2)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CCCCC1COC(OC1)C#CC2=CC=C(C=C2)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C22H22ClFO2/c1-2-3-4-17-14-25-22(26-15-17)12-7-16-5-8-18(9-6-16)19-10-11-20(23)21(24)13-19/h5-6,8-11,13,17,22H,2-4,14-15H2,1H3