2,3-dihydro-1-benzofuran-7-yloxycarbonyl-dimethyl-methylsulfanyl-azanium; tris(chloranyl)methanethiolate

Systemtic Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl-dimethyl-methylsulfanyl-azanium; tris(chloranyl)methanethiolate Openeye Name: 2,3-dihydrobenzofuran-7-yloxycarbonyl-dimethyl-methylsulfanyl-ammonium; trichloromethanethiolate CAS Name: [2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-dimethyl-(methylthio)ammonium; trichloromethanethiolate IUPAC Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl-dimethyl-methylsulfanylazanium; trichloromethanethiolate Traditional Name: coumaran-7-yloxycarbonyl-dimethyl-(methylthio)ammonium; trichloromethanethiolate Formula: C13H16Cl3NO3S2 MolecularWeight: 404.76004

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C(=O)OC1=CC=CC2=C1OCC2)SC.C([S-])(Cl)(Cl)Cl

Isomeric SMILES

C[N+](C)(C(=O)OC1=CC=CC2=C1OCC2)SC.C([S-])(Cl)(Cl)Cl

InChI

InChI=1S/C12H16NO3S.CHCl3S/c1-13(2,17-3)12(14)16-10-6-4-5-9-7-8-15-11(9)10;2-1(3,4)5/h4-6H,7-8H2,1-3H3;5H/q+1;/p-1