2-[ethoxysulfonothioylmethyl-[2-ethylsulfonylsulfanyl-1-(2-hydroxyethyl)azetidin-1-ium-1-yl]amino]ethanol

Systemtic Name: 2-[ethoxysulfonothioylmethyl-[2-ethylsulfonylsulfanyl-1-(2-hydroxyethyl)azetidin-1-ium-1-yl]amino]ethanol Openeye Name: 2-[ethoxysulfonothioylmethyl-[2-ethylsulfonylsulfanyl-1-(2-hydroxyethyl)azetidin-1-ium-1-yl]amino]ethanol CAS Name: 2-[ethoxysulfonothioylmethyl-[2-(ethylsulfonylthio)-1-(2-hydroxyethyl)-1-azetidin-1-iumyl]amino]ethanol IUPAC Name: 2-[ethoxysulfonothioylmethyl-[2-ethylsulfonylsulfanyl-1-(2-hydroxyethyl)azetidin-1-ium-1-yl]amino]ethanol Traditional Name: 2-[[2-(esylthio)-1-(2-hydroxyethyl)azetidin-1-ium-1-yl]-(ethoxysulfonothioylmethyl)amino]ethanol Formula: C12H27N2O6S4+ MolecularWeight: 423.61258

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=S)CN(CCO)[N+]1(CCC1SS(=O)(=O)CC)CCO

Isomeric SMILES

CCOS(=O)(=S)CN(CCO)[N+]1(CCC1SS(=O)(=O)CC)CCO

InChI

InChI=1S/C12H27N2O6S4/c1-3-20-24(19,21)11-13(6-9-15)14(8-10-16)7-5-12(14)22-23(17,18)4-2/h12,15-16H,3-11H2,1-2H3/q+1