[(2S,3R,4R,5R,6R)-2-(4-methylphenyl)sulfanyl-3-(phenylcarbonyloxy)-6-(phenylmethoxymethyl)-5-[2,2,2-tris(chloranyl)ethoxysulfonyloxy]oxan-4-yl] benzoate

Systemtic Name: [(2S,3R,4R,5R,6R)-2-(4-methylphenyl)sulfanyl-3-(phenylcarbonyloxy)-6-(phenylmethoxymethyl)-5-[2,2,2-tris(chloranyl)ethoxysulfonyloxy]oxan-4-yl] benzoate Openeye Name: [(2R,3R,4R,5R,6S)-5-benzoyloxy-2-(benzyloxymethyl)-6-(p-tolylsulfanyl)-3-(2,2,2-trichloroethoxysulfonyloxy)tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5R,6R)-3-benzoyloxy-2-[(4-methylphenyl)thio]-6-(phenylmethoxymethyl)-5-(2,2,2-trichloroethoxysulfonyloxy)-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6R)-3-benzoyloxy-2-(4-methylphenyl)sulfanyl-6-(phenylmethoxymethyl)-5-(2,2,2-trichloroethoxysulfonyloxy)oxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R,6S)-2-(benzoxymethyl)-5-benzoyloxy-6-(p-tolylthio)-3-(2,2,2-trichloroethoxysulfonyloxy)tetrahydropyran-4-yl] ester Formula: C36H33Cl3O10S2 MolecularWeight: 796.13022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(C(C(C(O2)COCC3=CC=CC=C3)OS(=O)(=O)OCC(Cl)(Cl)Cl)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OS(=O)(=O)OCC(Cl)(Cl)Cl)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H33Cl3O10S2/c1-24-17-19-28(20-18-24)50-35-32(48-34(41)27-15-9-4-10-16-27)31(47-33(40)26-13-7-3-8-14-26)30(49-51(42,43)45-23-36(37,38)39)29(46-35)22-44-21-25-11-5-2-6-12-25/h2-20,29-32,35H,21-23H2,1H3/t29-,30-,31+,32-,35+/m1/s1