4-but-3-enylsulfanyl-3,4,5-tris(fluoranyl)-3-(4-nitrophenyl)-1,2,4-oxadiazolidin-4-ium

Systemtic Name: 4-but-3-enylsulfanyl-3,4,5-tris(fluoranyl)-3-(4-nitrophenyl)-1,2,4-oxadiazolidin-4-ium Openeye Name: 4-but-3-enylsulfanyl-3,4,5-trifluoro-3-(4-nitrophenyl)-1,2,4-oxadiazolidin-4-ium CAS Name: 4-(but-3-enylthio)-3,4,5-trifluoro-3-(4-nitrophenyl)-1,2,4-oxadiazolidin-4-ium IUPAC Name: 4-but-3-enylsulfanyl-3,4,5-trifluoro-3-(4-nitrophenyl)-1,2,4-oxadiazolidin-4-ium Traditional Name: 4-(but-3-enylthio)-3,4,5-trifluoro-3-(4-nitrophenyl)-1,2,4-oxadiazolidin-4-ium Formula: C12H13F3N3O3S+ MolecularWeight: 336.31013

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCS[N+]1(C(ONC1(C2=CC=C(C=C2)[N+](=O)[O-])F)F)F

Isomeric SMILES

C=CCCS[N+]1(C(ONC1(C2=CC=C(C=C2)[N+](=O)[O-])F)F)F

InChI

InChI=1S/C12H13F3N3O3S/c1-2-3-8-22-18(15)11(13)21-16-12(18,14)9-4-6-10(7-5-9)17(19)20/h2,4-7,11,16H,1,3,8H2/q+1