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

Systemtic Name: [(2S)-3-(3-fluoranyl-2-oxidanyl-phenoxy)-2-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-3-(3-fluoro-2-hydroxy-phenoxy)-2-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-(3-fluoro-2-hydroxyphenoxy)-2-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [(2S)-3-(3-fluoro-2-hydroxyphenoxy)-2-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-(3-fluoro-2-hydroxy-phenoxy)-2-tosyloxy-propyl] ester Formula: C23H23FO8S2 MolecularWeight: 510.552323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](COC2=C(C(=CC=C2)F)O)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H23FO8S2/c1-16-6-10-19(11-7-16)33(26,27)31-15-18(14-30-22-5-3-4-21(24)23(22)25)32-34(28,29)20-12-8-17(2)9-13-20/h3-13,18,25H,14-15H2,1-2H3/t18-/m0/s1