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

Systemtic Name: 2-[3,5-bis(fluoranyl)-4-isothiocyanato-phenyl]-5-methyl-1,3-dioxane Openeye Name: 2-(3,5-difluoro-4-isothiocyanato-phenyl)-5-methyl-1,3-dioxane CAS Name: 2-(3,5-difluoro-4-isothiocyanatophenyl)-5-methyl-1,3-dioxane IUPAC Name: 2-(3,5-difluoro-4-isothiocyanatophenyl)-5-methyl-1,3-dioxane Traditional Name: 2-(3,5-difluoro-4-isothiocyanato-phenyl)-5-methyl-1,3-dioxane Formula: C12H11F2NO2S MolecularWeight: 271.283046

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(OC1)C2=CC(=C(C(=C2)F)N=C=S)F

Isomeric SMILES

CC1COC(OC1)C2=CC(=C(C(=C2)F)N=C=S)F

InChI

InChI=1S/C12H11F2NO2S/c1-7-4-16-12(17-5-7)8-2-9(13)11(15-6-18)10(14)3-8/h2-3,7,12H,4-5H2,1H3