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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)N2C(=O)C=C(N2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)N2C(=O)C=C(N2)C(=O)O)S(=O)(=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/h1-4,11H,(H,14,15)(H,16,17,18)(H,19,20,21)