trisodium 3-oxidanylidene-5-sulfanyl-1,2-thiazole-4-carboxylate

Systemtic Name: trisodium 3-oxidanylidene-5-sulfanyl-1,2-thiazole-4-carboxylate Openeye Name: trisodium 3-oxo-5-sulfanyl-isothiazole-4-carboxylate CAS Name: trisodium 5-mercapto-3-oxo-4-isothiazolecarboxylate IUPAC Name: trisodium 3-oxo-5-sulfanyl-1,2-thiazole-4-carboxylate Traditional Name: trisodium 3-keto-5-mercapto-4-isothiazoline-4-carboxylate Formula: C12H6N3Na3O9S6 MolecularWeight: 597.55005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C4H3NO3S2.3Na/c3*6-2-1(3(7)8)4(9)10-5-2;;;/h3*9H,(H,5,6)(H,7,8);;;/q;;;3*+1/p-3