disodium 4-[5-methyl-1-(2-oxidanidyloxyethyl)-3-sulfanidyl-1,2,4-triazolidin-4-yl]benzenesulfonate

Systemtic Name: disodium 4-[5-methyl-1-(2-oxidanidyloxyethyl)-3-sulfanidyl-1,2,4-triazolidin-4-yl]benzenesulfonate Openeye Name: disodium 4-[5-methyl-1-(2-oxidooxyethyl)-3-sulfido-1,2,4-triazolidin-4-yl]benzenesulfonate CAS Name: disodium 4-[5-methyl-1-(2-oxidooxyethyl)-3-sulfido-1,2,4-triazolidin-4-yl]benzenesulfonate IUPAC Name: disodium 4-[5-methyl-1-(2-oxidooxyethyl)-3-sulfido-1,2,4-triazolidin-4-yl]benzenesulfonate Traditional Name: disodium 4-[5-methyl-1-(2-oxidooxyethyl)-3-sulfido-1,2,4-triazolidin-4-yl]besylate Formula: C11H14N3Na2O5S2- MolecularWeight: 378.3555

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1C2=CC=C(C=C2)S(=O)(=O)[O-])[S-])CCO[O-].[Na+].[Na+]

Isomeric SMILES

CC1N(NC(N1C2=CC=C(C=C2)S(=O)(=O)[O-])[S-])CCO[O-].[Na+].[Na+]

InChI

InChI=1S/C11H17N3O5S2.2Na/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);;/q;2*+1/p-3