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

Systemtic Name: (E)-4-[5-(4-fluorophenyl)sulfonyl-1H-pyrrol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[5-(4-fluorophenyl)sulfonyl-1H-pyrrol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[5-(4-fluorophenyl)sulfonyl-1H-pyrrol-3-yl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[5-(4-fluorophenyl)sulfonyl-1H-pyrrol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[5-(4-fluorophenyl)sulfonyl-1H-pyrrol-3-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C14H10FNO6S MolecularWeight: 339.295703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)S(=O)(=O)C2=CC(=CN2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1F)S(=O)(=O)C2=CC(=CN2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C14H10FNO6S/c15-9-1-3-10(4-2-9)23(21,22)13-5-8(7-16-13)11(17)6-12(18)14(19)20/h1-7,16-17H,(H,19,20)/b11-6+