2,3-dihydro-1-benzofuran-7-yloxycarbonyl-dimethyl-[1,2,2-tris(bromanyl)ethenylsulfanyl]azanium

Systemtic Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl-dimethyl-[1,2,2-tris(bromanyl)ethenylsulfanyl]azanium Openeye Name: 2,3-dihydrobenzofuran-7-yloxycarbonyl-dimethyl-(1,2,2-tribromovinylsulfanyl)ammonium CAS Name: [2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-dimethyl-(1,2,2-tribromoethenylthio)ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl-dimethyl-(1,2,2-tribromoethenylsulfanyl)azanium Traditional Name: coumaran-7-yloxycarbonyl-dimethyl-(1,2,2-tribromovinylthio)ammonium Formula: C13H13Br3NO3S+ MolecularWeight: 503.02422

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C(=O)OC1=CC=CC2=C1OCC2)SC(=C(Br)Br)Br

Isomeric SMILES

C[N+](C)(C(=O)OC1=CC=CC2=C1OCC2)SC(=C(Br)Br)Br

InChI

InChI=1S/C13H13Br3NO3S/c1-17(2,21-12(16)11(14)15)13(18)20-9-5-3-4-8-6-7-19-10(8)9/h3-5H,6-7H2,1-2H3/q+1