[(2R,3S,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-3-yl] benzoate

Systemtic Name: [(2R,3S,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-3-yl] benzoate Openeye Name: [(2R,3S,4S,5R,6R)-5-acetoxy-6-(acetoxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-(2,2,2-trichloroethanimidoyl)oxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-[[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-(2,2,2-trichloro-1-iminoethoxy)-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6R)-5-acetoxy-6-(acetoxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-(2,2,2-trichloroacetimidoyl)oxy-tetrahydropyran-3-yl] ester Formula: C33H38Cl3NO18 MolecularWeight: 843.00972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C3=CC=CC=C3)OC(=N)C(Cl)(Cl)Cl)COC(=O)C)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)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2OC(=O)C3=CC=CC=C3)OC(=N)C(Cl)(Cl)Cl)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C33H38Cl3NO18/c1-14(38)45-12-21-23(47-16(3)40)25(49-18(5)42)27(50-19(6)43)30(51-21)54-26-24(48-17(4)41)22(13-46-15(2)39)52-31(55-32(37)33(34,35)36)28(26)53-29(44)20-10-8-7-9-11-20/h7-11,21-28,30-31,37H,12-13H2,1-6H3/t21-,22-,23-,24-,25+,26+,27+,28+,30-,31-/m1/s1