5-(4-butylcyclohexyl)-2-[2-(4-chloranyl-3-fluoranyl-phenyl)ethyl]-1,3-dioxane

Systemtic Name: 5-(4-butylcyclohexyl)-2-[2-(4-chloranyl-3-fluoranyl-phenyl)ethyl]-1,3-dioxane Openeye Name: 5-(4-butylcyclohexyl)-2-[2-(4-chloro-3-fluoro-phenyl)ethyl]-1,3-dioxane CAS Name: 5-(4-butylcyclohexyl)-2-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3-dioxane IUPAC Name: 5-(4-butylcyclohexyl)-2-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3-dioxane Traditional Name: 5-(4-butylcyclohexyl)-2-[2-(4-chloro-3-fluoro-phenyl)ethyl]-1,3-dioxane Formula: C22H32ClFO2 MolecularWeight: 382.939683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2COC(OC2)CCC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CCCCC1CCC(CC1)C2COC(OC2)CCC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C22H32ClFO2/c1-2-3-4-16-5-9-18(10-6-16)19-14-25-22(26-15-19)12-8-17-7-11-20(23)21(24)13-17/h7,11,13,16,18-19,22H,2-6,8-10,12,14-15H2,1H3