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

Systemtic Name: [(2S)-3-(3-fluoranyl-2-phenylmethoxy-phenoxy)-2-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-3-(2-benzyloxy-3-fluoro-phenoxy)-2-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-(3-fluoro-2-phenylmethoxyphenoxy)-2-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [(2S)-3-(3-fluoro-2-phenylmethoxyphenoxy)-2-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-(2-benzoxy-3-fluoro-phenoxy)-2-tosyloxy-propyl] ester Formula: C30H29FO8S2 MolecularWeight: 600.674863

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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)OCC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](COC2=C(C(=CC=C2)F)OCC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H29FO8S2/c1-22-11-15-26(16-12-22)40(32,33)38-21-25(39-41(34,35)27-17-13-23(2)14-18-27)20-36-29-10-6-9-28(31)30(29)37-19-24-7-4-3-5-8-24/h3-18,25H,19-21H2,1-2H3/t25-/m0/s1