2-[3,5-bis(fluoranyl)-4-isothiocyanato-phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane

Systemtic Name: 2-[3,5-bis(fluoranyl)-4-isothiocyanato-phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane Openeye Name: 2-(3,5-difluoro-4-isothiocyanato-phenyl)-5-(4-methylcyclohexyl)-1,3-dioxane CAS Name: 2-(3,5-difluoro-4-isothiocyanatophenyl)-5-(4-methylcyclohexyl)-1,3-dioxane IUPAC Name: 2-(3,5-difluoro-4-isothiocyanatophenyl)-5-(4-methylcyclohexyl)-1,3-dioxane Traditional Name: 2-(3,5-difluoro-4-isothiocyanato-phenyl)-5-(4-methylcyclohexyl)-1,3-dioxane Formula: C18H21F2NO2S MolecularWeight: 353.426646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2COC(OC2)C3=CC(=C(C(=C3)F)N=C=S)F

Isomeric SMILES

CC1CCC(CC1)C2COC(OC2)C3=CC(=C(C(=C3)F)N=C=S)F

InChI

InChI=1S/C18H21F2NO2S/c1-11-2-4-12(5-3-11)14-8-22-18(23-9-14)13-6-15(19)17(21-10-24)16(20)7-13/h6-7,11-12,14,18H,2-5,8-9H2,1H3