1-tert-butyl-4-sulfanidylsulfanyl-benzene; 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium

Systemtic Name: 1-tert-butyl-4-sulfanidylsulfanyl-benzene; 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium Openeye Name: 1-tert-butyl-4-sulfidosulfanyl-benzene; 2,3-dihydrobenzofuran-7-yloxycarbonyl(trimethyl)ammonium CAS Name: 1-tert-butyl-4-(sulfidothio)benzene; [2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-trimethylammonium IUPAC Name: 1-tert-butyl-4-sulfidosulfanylbenzene; 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium Traditional Name: 1-tert-butyl-4-(sulfidothio)benzene; coumaran-7-yloxycarbonyl(trimethyl)ammonium Formula: C22H29NO3S2 MolecularWeight: 419.60056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S[S-].C[N+](C)(C)C(=O)OC1=CC=CC2=C1OCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S[S-].C[N+](C)(C)C(=O)OC1=CC=CC2=C1OCC2

InChI

InChI=1S/C12H16NO3.C10H14S2/c1-13(2,3)12(14)16-10-6-4-5-9-7-8-15-11(9)10;1-10(2,3)8-4-6-9(12-11)7-5-8/h4-6H,7-8H2,1-3H3;4-7,11H,1-3H3/q+1;/p-1