2-[2-[dimethyl(2-oxidanylidenedodecyl)azaniumyl]ethylsulfanyl]ethyl-dimethyl-(2-oxidanylidenedodecyl)azanium dibromide

Systemtic Name: 2-[2-[dimethyl(2-oxidanylidenedodecyl)azaniumyl]ethylsulfanyl]ethyl-dimethyl-(2-oxidanylidenedodecyl)azanium dibromide Openeye Name: 2-[2-[dimethyl(2-oxododecyl)ammonio]ethylsulfanyl]ethyl-dimethyl-(2-oxododecyl)ammonium dibromide CAS Name: 2-[2-[dimethyl(2-oxododecyl)ammonio]ethylthio]ethyl-dimethyl-(2-oxododecyl)ammonium dibromide IUPAC Name: 2-[2-[dimethyl(2-oxododecyl)azaniumyl]ethylsulfanyl]ethyl-dimethyl-(2-oxododecyl)azanium dibromide Traditional Name: 2-ketododecyl-[2-[2-[2-ketododecyl(dimethyl)ammonio]ethylthio]ethyl]-dimethyl-ammonium dibromide Formula: C32H66Br2N2O2S MolecularWeight: 702.75164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)C[N+](C)(C)CCSCC[N+](C)(C)CC(=O)CCCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCC(=O)C[N+](C)(C)CCSCC[N+](C)(C)CC(=O)CCCCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C32H66N2O2S.2BrH/c1-7-9-11-13-15-17-19-21-23-31(35)29-33(3,4)25-27-37-28-26-34(5,6)30-32(36)24-22-20-18-16-14-12-10-8-2;;/h7-30H2,1-6H3;2*1H/q+2;;/p-2