[2,5,6-tris-(4-methylphenyl)sulfonyloxy-3,4-bis(oxidanyl)hexyl] 4-methylbenzenesulfonate

Systemtic Name: [2,5,6-tris-(4-methylphenyl)sulfonyloxy-3,4-bis(oxidanyl)hexyl] 4-methylbenzenesulfonate Openeye Name: [3,4-dihydroxy-2,5,6-tris(p-tolylsulfonyloxy)hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,4-dihydroxy-2,5,6-tris-(4-methylphenyl)sulfonyloxyhexyl] ester IUPAC Name: [3,4-dihydroxy-2,5,6-tris-(4-methylphenyl)sulfonyloxyhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,4-dihydroxy-2,5,6-tritosyloxy-hexyl) ester Formula: C34H38O14S4 MolecularWeight: 798.91712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(COS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)O)O)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(COS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)O)O)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C34H38O14S4/c1-23-5-13-27(14-6-23)49(37,38)45-21-31(47-51(41,42)29-17-9-25(3)10-18-29)33(35)34(36)32(48-52(43,44)30-19-11-26(4)12-20-30)22-46-50(39,40)28-15-7-24(2)8-16-28/h5-20,31-36H,21-22H2,1-4H3