2-[[4-[bis(2-azaniumylethylsulfanyl)arsanyl]phenyl]-(2-oxidanidylperoxysulfanylethyl)amino]ethanesulfonate

Systemtic Name: 2-[[4-[bis(2-azaniumylethylsulfanyl)arsanyl]phenyl]-(2-oxidanidylperoxysulfanylethyl)amino]ethanesulfonate Openeye Name: 2-[4-[bis(2-azaniumylethylsulfanyl)arsanyl]-N-(2-oxidoperoxysulfanylethyl)anilino]ethanesulfonate CAS Name: 2-[4-bis(2-ammonioethylthio)arsino-N-[2-(oxidodioxythio)ethyl]anilino]ethanesulfonate IUPAC Name: 2-[4-[bis(2-azaniumylethylsulfanyl)arsanyl]-N-(2-oxidoperoxysulfanylethyl)anilino]ethanesulfonate Traditional Name: 2-[4-bis(2-ammonioethylthio)arsino-N-[2-(oxidoperoxythio)ethyl]anilino]ethanesulfonate Formula: C14H26AsN3O6S4 MolecularWeight: 535.55434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCSOO[O-])CCS(=O)(=O)[O-])[As](SCC[NH3+])SCC[NH3+]

Isomeric SMILES

C1=CC(=CC=C1N(CCSOO[O-])CCS(=O)(=O)[O-])[As](SCC[NH3+])SCC[NH3+]

InChI

InChI=1S/C14H26AsN3O6S4/c16-5-9-25-15(26-10-6-17)13-1-3-14(4-2-13)18(7-11-27-24-23-19)8-12-28(20,21)22/h1-4,19H,5-12,16-17H2,(H,20,21,22)