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

Systemtic Name: [(2S,5S)-6-(4-methylphenyl)sulfonyloxy-2,5-bis(oxidanyl)hexyl] 4-methylbenzenesulfonate Openeye Name: [(2S,5S)-2,5-dihydroxy-6-(p-tolylsulfonyloxy)hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,5S)-2,5-dihydroxy-6-(4-methylphenyl)sulfonyloxyhexyl] ester IUPAC Name: [(2S,5S)-2,5-dihydroxy-6-(4-methylphenyl)sulfonyloxyhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,5S)-2,5-dihydroxy-6-tosyloxy-hexyl] ester Formula: C20H26O8S2 MolecularWeight: 458.54564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC(COS(=O)(=O)C2=CC=C(C=C2)C)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CC[C@@H](COS(=O)(=O)C2=CC=C(C=C2)C)O)O

InChI

InChI=1S/C20H26O8S2/c1-15-3-9-19(10-4-15)29(23,24)27-13-17(21)7-8-18(22)14-28-30(25,26)20-11-5-16(2)6-12-20/h3-6,9-12,17-18,21-22H,7-8,13-14H2,1-2H3/t17-,18-/m0/s1