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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C(N1)[S-])CC(=O)O)CCOO

Isomeric SMILES

CN1C(N(C(N1)[S-])CC(=O)O)CCOO

InChI

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