1-methylsulfanylimidazole-4,5-dicarboxylate

Systemtic Name: 1-methylsulfanylimidazole-4,5-dicarboxylate Openeye Name: 1-methylsulfanylimidazole-4,5-dicarboxylate CAS Name: 1-(methylthio)imidazole-4,5-dicarboxylate IUPAC Name: 1-methylsulfanylimidazole-4,5-dicarboxylate Traditional Name: 1-(methylthio)imidazole-4,5-dicarboxylate Formula: C6H4N2O4S-2 MolecularWeight: 200.17196

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Descriptors Computed from Structure

Canonical SMILES:

CSN1C=NC(=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CSN1C=NC(=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C6H6N2O4S/c1-13-8-2-7-3(5(9)10)4(8)6(11)12/h2H,1H3,(H,9,10)(H,11,12)/p-2