(2S,3S,4S,5R,6S)-6-[[7-(1-fluoranylethenyl)-2-(3-fluoranyl-4-sulfooxy-phenyl)-1,3-benzoxazol-5-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[[7-(1-fluoranylethenyl)-2-(3-fluoranyl-4-sulfooxy-phenyl)-1,3-benzoxazol-5-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[[2-(3-fluoro-4-sulfooxy-phenyl)-7-(1-fluorovinyl)-1,3-benzoxazol-5-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[[7-(1-fluoroethenyl)-2-(3-fluoro-4-sulfooxyphenyl)-1,3-benzoxazol-5-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[[7-(1-fluoroethenyl)-2-(3-fluoro-4-sulfooxyphenyl)-1,3-benzoxazol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[[2-(3-fluoro-4-sulfoxy-phenyl)-7-(1-fluorovinyl)-1,3-benzoxazol-5-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C21H17F2NO12S MolecularWeight: 545.420986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=CC2=C1OC(=N2)C3=CC(=C(C=C3)OS(=O)(=O)O)F)OC4C(C(C(C(O4)C(=O)O)O)O)O)F

Isomeric SMILES

C=C(C1=CC(=CC2=C1OC(=N2)C3=CC(=C(C=C3)OS(=O)(=O)O)F)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F

InChI

InChI=1S/C21H17F2NO12S/c1-7(22)10-5-9(33-21-16(27)14(25)15(26)18(35-21)20(28)29)6-12-17(10)34-19(24-12)8-2-3-13(11(23)4-8)36-37(30,31)32/h2-6,14-16,18,21,25-27H,1H2,(H,28,29)(H,30,31,32)/t14-,15-,16+,18-,21+/m0/s1