1-(2,5-disulfophenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylic acid

Systemtic Name: 1-(2,5-disulfophenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylic acid Openeye Name: 1-(2,5-disulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid CAS Name: 1-(2,5-disulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid IUPAC Name: 1-(2,5-disulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid Traditional Name: 1-(2,5-disulfophenyl)-5-keto-2-pyrazoline-3-carboxylic acid Formula: C10H8N2O9S2 MolecularWeight: 364.30852

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(=NN(C1=O)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C10H8N2O9S2/c13-9-4-6(10(14)15)11-12(9)7-3-5(22(16,17)18)1-2-8(7)23(19,20)21/h1-3H,4H2,(H,14,15)(H,16,17,18)(H,19,20,21)