(E)-4-[5-(4-fluorophenyl)sulfonyl-1H-pyrazol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[5-(4-fluorophenyl)sulfonyl-1H-pyrazol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[5-(4-fluorophenyl)sulfonyl-1H-pyrazol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[5-(4-fluorophenyl)sulfonyl-1H-pyrazol-3-yl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[5-(4-fluorophenyl)sulfonyl-1H-pyrazol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[5-(4-fluorophenyl)sulfonyl-1H-pyrazol-3-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C13H9FN2O6S MolecularWeight: 340.283763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)S(=O)(=O)C2=CC(=NN2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1F)S(=O)(=O)C2=CC(=NN2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H9FN2O6S/c14-7-1-3-8(4-2-7)23(21,22)12-5-9(15-16-12)10(17)6-11(18)13(19)20/h1-6,17H,(H,15,16)(H,19,20)/b10-6+