[5-ethyl-3-sulfanyl-1-(trioxidanylsulfanylmethyl)-1,2,4-triazolidin-4-yl]methanesulfonic acid

Systemtic Name: [5-ethyl-3-sulfanyl-1-(trioxidanylsulfanylmethyl)-1,2,4-triazolidin-4-yl]methanesulfonic acid Openeye Name: [5-ethyl-3-sulfanyl-1-(trioxidanylsulfanylmethyl)-1,2,4-triazolidin-4-yl]methanesulfonic acid CAS Name: [5-ethyl-3-mercapto-1-[(trioxidanylthio)methyl]-1,2,4-triazolidin-4-yl]methanesulfonic acid IUPAC Name: [5-ethyl-3-sulfanyl-1-(trioxidanylsulfanylmethyl)-1,2,4-triazolidin-4-yl]methanesulfonic acid Traditional Name: [5-ethyl-3-mercapto-1-[(trioxidanylthio)methyl]-1,2,4-triazolidin-4-yl]methanesulfonic acid Formula: C6H15N3O6S3 MolecularWeight: 321.3948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1N(NC(N1CS(=O)(=O)O)S)CSOOO

Isomeric SMILES

CCC1N(NC(N1CS(=O)(=O)O)S)CSOOO

InChI

InChI=1S/C6H15N3O6S3/c1-2-5-8(4-18(11,12)13)6(16)7-9(5)3-17-15-14-10/h5-7,10,16H,2-4H2,1H3,(H,11,12,13)