5-but-3-enyl-2-[2-[4-(4-chlorophenyl)phenyl]ethynyl]-1,3-dioxane

Systemtic Name: 5-but-3-enyl-2-[2-[4-(4-chlorophenyl)phenyl]ethynyl]-1,3-dioxane Openeye Name: 5-but-3-enyl-2-[2-[4-(4-chlorophenyl)phenyl]ethynyl]-1,3-dioxane CAS Name: 5-but-3-enyl-2-[2-[4-(4-chlorophenyl)phenyl]ethynyl]-1,3-dioxane IUPAC Name: 5-but-3-enyl-2-[2-[4-(4-chlorophenyl)phenyl]ethynyl]-1,3-dioxane Traditional Name: 5-but-3-enyl-2-[2-[4-(4-chlorophenyl)phenyl]ethynyl]-1,3-dioxane Formula: C22H21ClO2 MolecularWeight: 352.85394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1COC(OC1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCCC1COC(OC1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClO2/c1-2-3-4-18-15-24-22(25-16-18)14-7-17-5-8-19(9-6-17)20-10-12-21(23)13-11-20/h2,5-6,8-13,18,22H,1,3-4,15-16H2