2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium; 1,2,2-tris(chloranyl)ethenethiolate

Systemtic Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium; 1,2,2-tris(chloranyl)ethenethiolate Openeye Name: 2,3-dihydrobenzofuran-7-yloxycarbonyl(trimethyl)ammonium; 1,2,2-trichloroethenethiolate CAS Name: [2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-trimethylammonium; 1,2,2-trichloroethenethiolate IUPAC Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium; 1,2,2-trichloroethenethiolate Traditional Name: coumaran-7-yloxycarbonyl(trimethyl)ammonium; 1,2,2-trichloroethenethiolate Formula: C14H16Cl3NO3S MolecularWeight: 384.70574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO3.C2HCl3S/c1-13(2,3)12(14)16-10-6-4-5-9-7-8-15-11(9)10;3-1(4)2(5)6/h4-6H,7-8H2,1-3H3;6H/q+1;/p-1