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

Systemtic Name: [1-[2-(dioxidanyl)ethyl]-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]methanesulfonic acid Openeye Name: [1-(2-hydroperoxyethyl)-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]methanesulfonic acid CAS Name: [1-(2-hydroperoxyethyl)-3-mercapto-5-methyl-1,2,4-triazolidin-4-yl]methanesulfonic acid IUPAC Name: [1-(2-hydroperoxyethyl)-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]methanesulfonic acid Traditional Name: [1-(2-hydroperoxyethyl)-3-mercapto-5-methyl-1,2,4-triazolidin-4-yl]methanesulfonic acid Formula: C6H15N3O5S2 MolecularWeight: 273.3304

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1CS(=O)(=O)O)S)CCOO

Isomeric SMILES

CC1N(NC(N1CS(=O)(=O)O)S)CCOO

InChI

InChI=1S/C6H15N3O5S2/c1-5-8(4-16(11,12)13)6(15)7-9(5)2-3-14-10/h5-7,10,15H,2-4H2,1H3,(H,11,12,13)