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

Systemtic Name: 4-[1-[2-(dioxidanyl)ethyl]-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]benzenesulfonic acid Openeye Name: 4-[1-(2-hydroperoxyethyl)-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]benzenesulfonic acid CAS Name: 4-[1-(2-hydroperoxyethyl)-3-mercapto-5-methyl-1,2,4-triazolidin-4-yl]benzenesulfonic acid IUPAC Name: 4-[1-(2-hydroperoxyethyl)-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]benzenesulfonic acid Traditional Name: 4-[1-(2-hydroperoxyethyl)-3-mercapto-5-methyl-1,2,4-triazolidin-4-yl]besylic acid Formula: C11H17N3O5S2 MolecularWeight: 335.39978

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1C2=CC=C(C=C2)S(=O)(=O)O)S)CCOO

Isomeric SMILES

CC1N(NC(N1C2=CC=C(C=C2)S(=O)(=O)O)S)CCOO

InChI

InChI=1S/C11H17N3O5S2/c1-8-13(6-7-19-15)12-11(20)14(8)9-2-4-10(5-3-9)21(16,17)18/h2-5,8,11-12,15,20H,6-7H2,1H3,(H,16,17,18)