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

Systemtic Name: [(2S)-2-(4-methylphenyl)sulfonyloxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-3-[2-(3-phenylpropanoyl)phenoxy]-2-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-(4-methylphenyl)sulfonyloxy-3-[2-(1-oxo-3-phenylpropyl)phenoxy]propyl] ester IUPAC Name: [(2S)-2-(4-methylphenyl)sulfonyloxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-(2-hydrocinnamoylphenoxy)-2-tosyloxy-propyl] ester Formula: C32H32O8S2 MolecularWeight: 608.72168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=CC=CC=C2C(=O)CCC3=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=CC=CC=C2C(=O)CCC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C32H32O8S2/c1-24-12-17-28(18-13-24)41(34,35)39-23-27(40-42(36,37)29-19-14-25(2)15-20-29)22-38-32-11-7-6-10-30(32)31(33)21-16-26-8-4-3-5-9-26/h3-15,17-20,27H,16,21-23H2,1-2H3/t27-/m0/s1