(E)-3-[5-[(4-fluoranyl-3-methoxy-phenyl)methyl]furan-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-3-[5-[(4-fluoranyl-3-methoxy-phenyl)methyl]furan-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-3-[5-[(4-fluoro-3-methoxy-phenyl)methyl]-2-furyl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-3-[5-[(4-fluoro-3-methoxyphenyl)methyl]-2-furanyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-3-[5-[(4-fluoro-3-methoxyphenyl)methyl]furan-2-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-3-[5-(4-fluoro-3-methoxy-benzyl)-2-furyl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C16H13FO6 MolecularWeight: 320.269223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=CC=C(O2)C(=CO)C(=O)C(=O)O)F

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=CC=C(O2)/C(=C\O)/C(=O)C(=O)O)F

InChI

InChI=1S/C16H13FO6/c1-22-14-7-9(2-4-12(14)17)6-10-3-5-13(23-10)11(8-18)15(19)16(20)21/h2-5,7-8,18H,6H2,1H3,(H,20,21)/b11-8+