4-(carboxymethyl)-1-[2-(dioxidanyl)ethyl]-5-methyl-1,2,4-triazolidine-3-thiolate

Systemtic Name: 4-(carboxymethyl)-1-[2-(dioxidanyl)ethyl]-5-methyl-1,2,4-triazolidine-3-thiolate Openeye Name: 4-(carboxymethyl)-1-(2-hydroperoxyethyl)-5-methyl-1,2,4-triazolidine-3-thiolate CAS Name: 4-(carboxymethyl)-1-(2-hydroperoxyethyl)-5-methyl-1,2,4-triazolidine-3-thiolate IUPAC Name: 4-(carboxymethyl)-1-(2-hydroperoxyethyl)-5-methyl-1,2,4-triazolidine-3-thiolate Traditional Name: 4-(carboxymethyl)-1-(2-hydroperoxyethyl)-5-methyl-1,2,4-triazolidine-3-thiolate Formula: C7H14N3O4S- MolecularWeight: 236.26876

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1CC(=O)O)[S-])CCOO

Isomeric SMILES

CC1N(NC(N1CC(=O)O)[S-])CCOO

InChI

InChI=1S/C7H15N3O4S/c1-5-9(4-6(11)12)7(15)8-10(5)2-3-14-13/h5,7-8,13,15H,2-4H2,1H3,(H,11,12)/p-1