2-[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]-1,3-dioxane

Systemtic Name: 2-[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]-1,3-dioxane Openeye Name: 2-[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]-1,3-dioxane CAS Name: 2-[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylthio]phenyl]-1,3-dioxane IUPAC Name: 2-[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]-1,3-dioxane Traditional Name: 2-[4-[[4-cyclohexyl-3-(trifluoromethyl)benzyl]thio]phenyl]-1,3-dioxane Formula: C24H27F3O2S MolecularWeight: 436.53019

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)CSC3=CC=C(C=C3)C4OCCCO4)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)CSC3=CC=C(C=C3)C4OCCCO4)C(F)(F)F

InChI

InChI=1S/C24H27F3O2S/c25-24(26,27)22-15-17(7-12-21(22)18-5-2-1-3-6-18)16-30-20-10-8-19(9-11-20)23-28-13-4-14-29-23/h7-12,15,18,23H,1-6,13-14,16H2