decane-1-thiolate; 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium

Systemtic Name: decane-1-thiolate; 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium Openeye Name: decane-1-thiolate; 2,3-dihydrobenzofuran-7-yloxycarbonyl(trimethyl)ammonium CAS Name: 1-decanethiolate; [2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-trimethylammonium IUPAC Name: decane-1-thiolate; 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium Traditional Name: coumaran-7-yloxycarbonyl(trimethyl)ammonium; decane-1-thiolate Formula: C22H37NO3S MolecularWeight: 395.59908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO3.C10H22S/c1-13(2,3)12(14)16-10-6-4-5-9-7-8-15-11(9)10;1-2-3-4-5-6-7-8-9-10-11/h4-6H,7-8H2,1-3H3;11H,2-10H2,1H3/q+1;/p-1