[(2S,5S)-5-(4-methylphenyl)sulfonyloxy-1,6-bis(oxidanyl)hexan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,5S)-5-(4-methylphenyl)sulfonyloxy-1,6-bis(oxidanyl)hexan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,4S)-5-hydroxy-1-(hydroxymethyl)-4-(p-tolylsulfonyloxy)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,5S)-1,6-dihydroxy-5-(4-methylphenyl)sulfonyloxyhexan-2-yl] ester IUPAC Name: [(2S,5S)-1,6-dihydroxy-5-(4-methylphenyl)sulfonyloxyhexan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,4S)-5-hydroxy-1-methylol-4-tosyloxy-pentyl] ester Formula: C20H26O8S2 MolecularWeight: 458.54564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCC(CO)OS(=O)(=O)C2=CC=C(C=C2)C)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CC[C@@H](CO)OS(=O)(=O)C2=CC=C(C=C2)C)CO

InChI

InChI=1S/C20H26O8S2/c1-15-3-9-19(10-4-15)29(23,24)27-17(13-21)7-8-18(14-22)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