2-methylsulfanyl-1H-imidazole-4,5-dicarboxylic acid

Systemtic Name: 2-methylsulfanyl-1H-imidazole-4,5-dicarboxylic acid Openeye Name: 2-methylsulfanyl-1H-imidazole-4,5-dicarboxylic acid CAS Name: 2-(methylthio)-1H-imidazole-4,5-dicarboxylic acid IUPAC Name: 2-methylsulfanyl-1H-imidazole-4,5-dicarboxylic acid Traditional Name: 2-(methylthio)-1H-imidazole-4,5-dicarboxylic acid Formula: C6H6N2O4S MolecularWeight: 202.18784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(N1)C(=O)O)C(=O)O

Isomeric SMILES

CSC1=NC(=C(N1)C(=O)O)C(=O)O

InChI

InChI=1S/C6H6N2O4S/c1-13-6-7-2(4(9)10)3(8-6)5(11)12/h1H3,(H,7,8)(H,9,10)(H,11,12)