[(1R,2R,3S,4R,5R)-3,4-bis-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2R,3S,4R,5R)-3,4-bis-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,2R,3S,4R,5R)-3,4-bis(p-tolylsulfonyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2R,3S,4R,5R)-3,4-bis-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] ester IUPAC Name: [(1R,2R,3S,4R,5R)-3,4-bis-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2R,3S,4R,5R)-3,4-ditosyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] ester Formula: C27H28O11S3 MolecularWeight: 624.69962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3COC(O3)C(C2OS(=O)(=O)C4=CC=C(C=C4)C)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2OS(=O)(=O)C4=CC=C(C=C4)C)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H28O11S3/c1-17-4-10-20(11-5-17)39(28,29)36-24-23-16-34-27(35-23)26(38-41(32,33)22-14-8-19(3)9-15-22)25(24)37-40(30,31)21-12-6-18(2)7-13-21/h4-15,23-27H,16H2,1-3H3/t23-,24-,25+,26-,27-/m1/s1