(E)-3-[(4-fluorophenyl)methyl]-4-(5-methylsulfonylfuran-2-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-3-[(4-fluorophenyl)methyl]-4-(5-methylsulfonylfuran-2-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-3-[(4-fluorophenyl)methyl]-2-hydroxy-4-(5-methylsulfonyl-2-furyl)-4-oxo-but-2-enoic acid CAS Name: (E)-3-[(4-fluorophenyl)methyl]-2-hydroxy-4-(5-methylsulfonyl-2-furanyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-3-[(4-fluorophenyl)methyl]-2-hydroxy-4-(5-methylsulfonylfuran-2-yl)-4-oxobut-2-enoic acid Traditional Name: (E)-3-(4-fluorobenzyl)-2-hydroxy-4-keto-4-(5-mesyl-2-furyl)but-2-enoic acid Formula: C16H13FO7S MolecularWeight: 368.333623

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(O1)C(=O)C(=C(C(=O)O)O)CC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(O1)C(=O)/C(=C(\C(=O)O)/O)/CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H13FO7S/c1-25(22,23)13-7-6-12(24-13)14(18)11(15(19)16(20)21)8-9-2-4-10(17)5-3-9/h2-7,19H,8H2,1H3,(H,20,21)/b15-11+