3-oxidanylidene-2,5-disulfo-pyrazole-1-carboxylic acid

Systemtic Name: 3-oxidanylidene-2,5-disulfo-pyrazole-1-carboxylic acid Openeye Name: 3-oxo-2,5-disulfo-pyrazole-1-carboxylic acid CAS Name: 3-oxo-2,5-disulfo-1-pyrazolecarboxylic acid IUPAC Name: 3-oxo-2,5-disulfopyrazole-1-carboxylic acid Traditional Name: 3-keto-2,5-disulfo-3-pyrazoline-1-carboxylic acid Formula: C4H4N2O9S2 MolecularWeight: 288.21256

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N(N(C1=O)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(N(N(C1=O)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C4H4N2O9S2/c7-2-1-3(16(10,11)12)5(4(8)9)6(2)17(13,14)15/h1H,(H,8,9)(H,10,11,12)(H,13,14,15)