3-oxidanylidene-2-(2-oxidanyl-3-sulfo-propyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-(2-oxidanyl-3-sulfo-propyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(2-hydroxy-3-sulfo-propyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(2-hydroxy-3-sulfopropyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(2-hydroxy-3-sulfopropyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(2-hydroxy-3-sulfo-propyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C7H10N2O7S MolecularWeight: 266.2285

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NN(C1=O)CC(CS(=O)(=O)O)O)C(=O)O

Isomeric SMILES

C1=C(NN(C1=O)CC(CS(=O)(=O)O)O)C(=O)O

InChI

InChI=1S/C7H10N2O7S/c10-4(3-17(14,15)16)2-9-6(11)1-5(8-9)7(12)13/h1,4,8,10H,2-3H2,(H,12,13)(H,14,15,16)