1-(4-azanyl-2-sulfo-phenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-azanyl-2-sulfo-phenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylic acid Openeye Name: 1-(4-amino-2-sulfo-phenyl)-5-oxo-4H-pyrazole-3-carboxylic acid CAS Name: 1-(4-amino-2-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid IUPAC Name: 1-(4-amino-2-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid Traditional Name: 1-(4-amino-2-sulfo-phenyl)-5-keto-2-pyrazoline-3-carboxylic acid Formula: C10H9N3O6S MolecularWeight: 299.25996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O6S/c11-5-1-2-7(8(3-5)20(17,18)19)13-9(14)4-6(12-13)10(15)16/h1-3H,4,11H2,(H,15,16)(H,17,18,19)