trisodium 3-oxidanylidene-5-sulfanyl-1,2-thiazole-4-carboxylic acid

Systemtic Name: trisodium 3-oxidanylidene-5-sulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: trisodium 3-oxo-5-sulfanyl-isothiazole-4-carboxylic acid CAS Name: trisodium 5-mercapto-3-oxo-4-isothiazolecarboxylic acid IUPAC Name: trisodium 3-oxo-5-sulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: trisodium 3-keto-5-mercapto-4-isothiazoline-4-carboxylic acid Formula: C4H3NNa3O3S2+3 MolecularWeight: 246.17083

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Descriptors Computed from Structure

Canonical SMILES:

C1(=C(SNC1=O)S)C(=O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1(=C(SNC1=O)S)C(=O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C4H3NO3S2.3Na/c6-2-1(3(7)8)4(9)10-5-2;;;/h9H,(H,5,6)(H,7,8);;;/q;3*+1