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8-methylsulfonylsulfanyloctyl(triphenyl)azanium

8-methylsulfonylsulfanyloctyl(triphenyl)azanium

Systemtic Name:8-methylsulfonylsulfanyloctyl(triphenyl)azanium
Openeye Name:8-methylsulfonylsulfanyloctyl(triphenyl)ammonium
CAS Name:8-(methylsulfonylthio)octyl-triphenylammonium
IUPAC Name:8-methylsulfonylsulfanyloctyl(triphenyl)azanium
Traditional Name:8-(mesylthio)octyl-triphenyl-ammonium
Formula: C27H34NO2S2+
MolecularWeight: 468.69436
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCCCCCCC[N+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3


Isomeric SMILES

CS(=O)(=O)SCCCCCCCC[N+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3


InChI

InChI=1S/C27H34NO2S2/c1-32(29,30)31-24-16-5-3-2-4-15-23-28(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27/h6-14,17-22H,2-5,15-16,23-24H2,1H3/q+1


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