(2S,3S,4S,5R,6S)-6-[5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-phenyl]carbonyloxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-phenyl]carbonyloxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[5-(2,4-difluorophenyl)-2-hydroxy-benzoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-oxomethoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[5-(2,4-difluorophenyl)-2-hydroxy-benzoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C19H16F2O9 MolecularWeight: 426.321746

Click to see the large picture

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)C(=O)O)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)C(=O)O)O)O)O)O

InChI

InChI=1S/C19H16F2O9/c20-8-2-3-9(11(21)6-8)7-1-4-12(22)10(5-7)18(28)30-19-15(25)13(23)14(24)16(29-19)17(26)27/h1-6,13-16,19,22-25H,(H,26,27)/t13-,14-,15+,16-,19-/m0/s1