[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-benzoate

Systemtic Name: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-benzoate Openeye Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 5-(2,4-difluorophenyl)-2-hydroxy-benzoate CAS Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-(2,4-difluorophenyl)-2-hydroxybenzoate Traditional Name: 5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester Formula: C19H18F2O8 MolecularWeight: 412.338226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)OC3C(C(C(C(O3)CO)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

InChI

InChI=1S/C19H18F2O8/c20-9-2-3-10(12(21)6-9)8-1-4-13(23)11(5-8)18(27)29-19-17(26)16(25)15(24)14(7-22)28-19/h1-6,14-17,19,22-26H,7H2/t14-,15-,16+,17-,19+/m1/s1