2-[5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-3-yl]ethanoic acid

Systemtic Name: 2-[5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-3-yl]ethanoic acid Openeye Name: 2-[5-oxo-1-(4-sulfophenyl)-4H-pyrazol-3-yl]acetic acid CAS Name: 2-[5-oxo-1-(4-sulfophenyl)-4H-pyrazol-3-yl]acetic acid IUPAC Name: 2-[5-oxo-1-(4-sulfophenyl)-4H-pyrazol-3-yl]acetic acid Traditional Name: 2-[5-keto-1-(4-sulfophenyl)-2-pyrazolin-3-yl]acetic acid Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O6S/c14-10-5-7(6-11(15)16)12-13(10)8-1-3-9(4-2-8)20(17,18)19/h1-4H,5-6H2,(H,15,16)(H,17,18,19)