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

Systemtic Name: 2-(4-but-3-enylcyclohexyl)-5-[2-(4-chlorophenyl)ethynyl]-1,4-dioxane Openeye Name: 2-(4-but-3-enylcyclohexyl)-5-[2-(4-chlorophenyl)ethynyl]-1,4-dioxane CAS Name: 2-(4-but-3-enylcyclohexyl)-5-[2-(4-chlorophenyl)ethynyl]-1,4-dioxane IUPAC Name: 2-(4-but-3-enylcyclohexyl)-5-[2-(4-chlorophenyl)ethynyl]-1,4-dioxane Traditional Name: 2-(4-but-3-enylcyclohexyl)-5-[2-(4-chlorophenyl)ethynyl]-1,4-dioxane Formula: C22H27ClO2 MolecularWeight: 358.90158

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1CCC(CC1)C2COC(CO2)C#CC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCCC1CCC(CC1)C2COC(CO2)C#CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClO2/c1-2-3-4-17-5-10-19(11-6-17)22-16-24-21(15-25-22)14-9-18-7-12-20(23)13-8-18/h2,7-8,12-13,17,19,21-22H,1,3-6,10-11,15-16H2