[10-(benzenecarbonothioylsulfanyl)-11-oxidanyl-11-oxidanylidene-undecyl]-trimethyl-azanium bromide

Systemtic Name: [10-(benzenecarbonothioylsulfanyl)-11-oxidanyl-11-oxidanylidene-undecyl]-trimethyl-azanium bromide Openeye Name: [10-(benzenecarbonothioylsulfanyl)-11-hydroxy-11-oxo-undecyl]-trimethyl-ammonium bromide CAS Name: [10-(benzenecarbonothioylthio)-11-hydroxy-11-oxoundecyl]-trimethylammonium bromide IUPAC Name: [10-(benzenecarbonothioylsulfanyl)-11-hydroxy-11-oxoundecyl]-trimethylazanium bromide Traditional Name: [10-(benzenecarbonothioylthio)-11-hydroxy-11-keto-undecyl]-trimethyl-ammonium bromide Formula: C21H34BrNO2S2 MolecularWeight: 476.53416

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCCCCCC(C(=O)O)SC(=S)C1=CC=CC=C1.[Br-]

Isomeric SMILES

C[N+](C)(C)CCCCCCCCCC(C(=O)O)SC(=S)C1=CC=CC=C1.[Br-]

InChI

InChI=1S/C21H33NO2S2.BrH/c1-22(2,3)17-13-8-6-4-5-7-12-16-19(20(23)24)26-21(25)18-14-10-9-11-15-18;/h9-11,14-15,19H,4-8,12-13,16-17H2,1-3H3;1H