(E)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[2-(4-chlorophenyl)sulfonyl-3-pyrazolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C13H9ClN2O6S MolecularWeight: 356.73836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)N2C(=CC=N2)/C(=C\C(=O)C(=O)O)/O)Cl

InChI

InChI=1S/C13H9ClN2O6S/c14-8-1-3-9(4-2-8)23(21,22)16-10(5-6-15-16)11(17)7-12(18)13(19)20/h1-7,17H,(H,19,20)/b11-7+