methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-4-yl]oxy-oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-4-yl]oxy-oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[(2R,3S,4R,5R,6S)-3-acetoxy-2-(acetoxymethyl)-5-(1,3-dioxoisoindolin-2-yl)-6-(2,2,2-trichloroethanimidoyl)oxy-tetrahydropyran-4-yl]oxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3S,4R,5R,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-(1,3-dioxo-2-isoindolyl)-6-(2,2,2-trichloro-1-iminoethoxy)-4-oxanyl]oxy]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-4-yl]oxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[(2R,3S,4R,5R,6S)-3-acetoxy-2-(acetoxymethyl)-5-phthalimido-6-(2,2,2-trichloroacetimidoyl)oxy-tetrahydropyran-4-yl]oxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C33H35Cl3N2O18 MolecularWeight: 853.9926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC(=N)C(Cl)(Cl)Cl)N2C(=O)C3=CC=CC=C3C2=O)OC4C(C(C(C(O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=N)C(Cl)(Cl)Cl)N2C(=O)C3=CC=CC=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C33H35Cl3N2O18/c1-12(39)48-11-19-21(49-13(2)40)22(20(30(53-19)56-32(37)33(34,35)36)38-27(44)17-9-7-8-10-18(17)28(38)45)54-31-26(52-16(5)43)24(51-15(4)42)23(50-14(3)41)25(55-31)29(46)47-6/h7-10,19-26,30-31,37H,11H2,1-6H3/t19-,20-,21-,22-,23+,24+,25+,26-,30+,31-/m1/s1