disodium 2-(hydroxymethyl)-5-oxidanyl-4-(4H-pyran-2-ylcarbonyl)-1-sulfanidylcarbothioyl-pyrrolidine-2-carboxylate

Systemtic Name: disodium 2-(hydroxymethyl)-5-oxidanyl-4-(4H-pyran-2-ylcarbonyl)-1-sulfanidylcarbothioyl-pyrrolidine-2-carboxylate Openeye Name: disodium 5-hydroxy-2-(hydroxymethyl)-4-(4H-pyran-2-carbonyl)-1-sulfidocarbothioyl-pyrrolidine-2-carboxylate CAS Name: disodium 5-hydroxy-2-(hydroxymethyl)-4-[oxo(4H-pyran-2-yl)methyl]-1-[sulfanylidene(sulfido)methyl]-2-pyrrolidinecarboxylate IUPAC Name: disodium 5-hydroxy-2-(hydroxymethyl)-4-(4H-pyran-2-carbonyl)-1-sulfidocarbothioylpyrrolidine-2-carboxylate Traditional Name: disodium 5-hydroxy-2-methylol-4-(4H-pyran-2-carbonyl)-1-sulfidocarbothioyl-pyrrolidine-2-carboxylate Formula: C13H13NNa2O6S2 MolecularWeight: 389.35496

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Descriptors Computed from Structure

Canonical SMILES:

C1C=COC(=C1)C(=O)C2CC(N(C2O)C(=S)[S-])(CO)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1C=COC(=C1)C(=O)C2CC(N(C2O)C(=S)[S-])(CO)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H15NO6S2.2Na/c15-6-13(11(18)19)5-7(10(17)14(13)12(21)22)9(16)8-3-1-2-4-20-8;;/h2-4,7,10,15,17H,1,5-6H2,(H,18,19)(H,21,22);;/q;2*+1/p-2