[(2S,3R,4R,5S,6S)-6-(iodanylmethyl)-2-methoxy-5-oxidanyl-4-(4-oxidanylidenepentanoyloxy)oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4R,5S,6S)-6-(iodanylmethyl)-2-methoxy-5-oxidanyl-4-(4-oxidanylidenepentanoyloxy)oxan-3-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6S)-5-hydroxy-6-(iodomethyl)-2-methoxy-4-(4-oxopentanoyloxy)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6S)-4-(1,4-dioxopentoxy)-5-hydroxy-6-(iodomethyl)-2-methoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-5-hydroxy-6-(iodomethyl)-2-methoxy-4-(4-oxopentanoyloxy)oxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6S)-5-hydroxy-6-(iodomethyl)-4-(4-ketopentanoyloxy)-2-methoxy-tetrahydropyran-3-yl] ester Formula: C19H23IO8 MolecularWeight: 506.28559

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(C(OC(C1OC(=O)C2=CC=CC=C2)OC)CI)O

Isomeric SMILES

CC(=O)CCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C2=CC=CC=C2)OC)CI)O

InChI

InChI=1S/C19H23IO8/c1-11(21)8-9-14(22)27-16-15(23)13(10-20)26-19(25-2)17(16)28-18(24)12-6-4-3-5-7-12/h3-7,13,15-17,19,23H,8-10H2,1-2H3/t13-,15-,16-,17-,19+/m1/s1