2-[2-oxidanidylperoxysulfanylethylsulfanyl-[4-(trimethylazaniumyl)phenyl]arsanyl]sulfanylethanesulfonate

Systemtic Name: 2-[2-oxidanidylperoxysulfanylethylsulfanyl-[4-(trimethylazaniumyl)phenyl]arsanyl]sulfanylethanesulfonate Openeye Name: 2-[2-oxidoperoxysulfanylethylsulfanyl-[4-(trimethylammonio)phenyl]arsanyl]sulfanylethanesulfonate CAS Name: 2-[[[2-(oxidodioxythio)ethylthio]-[4-(trimethylammonio)phenyl]arsino]thio]ethanesulfonate IUPAC Name: 2-[2-oxidoperoxysulfanylethylsulfanyl-[4-(trimethylazaniumyl)phenyl]arsanyl]sulfanylethanesulfonate Traditional Name: 2-[[[2-(oxidoperoxythio)ethylthio]-[4-(trimethylammonio)phenyl]arsino]thio]ethanesulfonate Formula: C13H21AsNO6S4- MolecularWeight: 490.49054

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)[As](SCCSOO[O-])SCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)[As](SCCSOO[O-])SCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H22AsNO6S4/c1-15(2,3)13-6-4-12(5-7-13)14(22-8-9-24-21-20-16)23-10-11-25(17,18)19/h4-7H,8-11H2,1-3H3,(H-,16,17,18,19)/p-1