(E)-4-oxidanyl-2-oxidanylidene-4-[1-(phenylsulfonyl)pyrazol-4-yl]but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-[1-(phenylsulfonyl)pyrazol-4-yl]but-3-enoic acid Openeye Name: (E)-4-[1-(benzenesulfonyl)pyrazol-4-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[1-(benzenesulfonyl)-4-pyrazolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[1-(benzenesulfonyl)pyrazol-4-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-(1-besylpyrazol-4-yl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C13H10N2O6S MolecularWeight: 322.2933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C=N2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C=N2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H10N2O6S/c16-11(6-12(17)13(18)19)9-7-14-15(8-9)22(20,21)10-4-2-1-3-5-10/h1-8,16H,(H,18,19)/b11-6+