[(2R,3R,4S,5S,6R)-6-[(2R,3R,4S,5S,6R)-3,5-bis(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-4-yl]oxy-3,5-bis(phenylcarbonyloxy)-4-prop-2-enoxy-oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5S,6R)-6-[(2R,3R,4S,5S,6R)-3,5-bis(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-4-yl]oxy-3,5-bis(phenylcarbonyloxy)-4-prop-2-enoxy-oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5S,6R)-4-allyloxy-3,5-dibenzoyloxy-6-[(2R,3R,4S,5S,6R)-3,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxy-tetrahydropyran-4-yl]oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5S,6R)-3,5-dibenzoyloxy-6-[[(2R,3R,4S,5S,6R)-3,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-(2,2,2-trichloro-1-iminoethoxy)-4-oxanyl]oxy]-4-prop-2-enoxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6R)-3,5-dibenzoyloxy-6-[(2R,3R,4S,5S,6R)-3,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-4-yl]oxy-4-prop-2-enoxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5S,6R)-4-allyloxy-3,5-dibenzoyloxy-6-[(2R,3R,4S,5S,6R)-3,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-(2,2,2-trichloroacetimidoyl)oxy-tetrahydropyran-4-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C59H50Cl3NO17 MolecularWeight: 1151.3838

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1C(C(OC(C1OC(=O)C2=CC=CC=C2)OC3C(C(OC(C3OC(=O)C4=CC=CC=C4)OC(=N)C(Cl)(Cl)Cl)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

Isomeric SMILES

C=CCO[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OC(=O)C2=CC=CC=C2)O[C@H]3[C@@H]([C@H](O[C@@H]([C@H]3OC(=O)C4=CC=CC=C4)OC(=N)C(Cl)(Cl)Cl)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

InChI

InChI=1S/C59H50Cl3NO17/c1-2-33-70-46-44(75-52(66)38-25-13-5-14-26-38)42(34-71-50(64)36-21-9-3-10-22-36)73-56(48(46)77-54(68)40-29-17-7-18-30-40)79-47-45(76-53(67)39-27-15-6-16-28-39)43(35-72-51(65)37-23-11-4-12-24-37)74-57(80-58(63)59(60,61)62)49(47)78-55(69)41-31-19-8-20-32-41/h2-32,42-49,56-57,63H,1,33-35H2/t42-,43-,44-,45-,46+,47+,48+,49+,56-,57-/m1/s1