[3-[4-[3-(4-methylphenyl)sulfonyloxy-2-oxidanyl-propoxy]phenoxy]-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[4-[3-(4-methylphenyl)sulfonyloxy-2-oxidanyl-propoxy]phenoxy]-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-3-[4-[2-hydroxy-3-(p-tolylsulfonyloxy)propoxy]phenoxy]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-[4-[2-hydroxy-3-(4-methylphenyl)sulfonyloxypropoxy]phenoxy]propyl] ester IUPAC Name: [2-hydroxy-3-[4-[2-hydroxy-3-(4-methylphenyl)sulfonyloxypropoxy]phenoxy]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-[4-(2-hydroxy-3-tosyloxy-propoxy)phenoxy]propyl] ester Formula: C26H30O10S2 MolecularWeight: 566.6404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=CC=C(C=C2)OCC(COS(=O)(=O)C3=CC=C(C=C3)C)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=CC=C(C=C2)OCC(COS(=O)(=O)C3=CC=C(C=C3)C)O)O

InChI

InChI=1S/C26H30O10S2/c1-19-3-11-25(12-4-19)37(29,30)35-17-21(27)15-33-23-7-9-24(10-8-23)34-16-22(28)18-36-38(31,32)26-13-5-20(2)6-14-26/h3-14,21-22,27-28H,15-18H2,1-2H3