[(3R)-3-[(4-methylphenyl)sulfonyloxymethyl]-4-phenyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(3R)-3-[(4-methylphenyl)sulfonyloxymethyl]-4-phenyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(3R)-3-benzyl-4-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-3-[(4-methylphenyl)sulfonyloxymethyl]-4-phenylbutyl] ester IUPAC Name: [(3R)-3-benzyl-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R)-3-benzyl-4-tosyloxy-butyl] ester Formula: C25H28O6S2 MolecularWeight: 488.61622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CC2=CC=CC=C2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@H](CC2=CC=CC=C2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H28O6S2/c1-20-8-12-24(13-9-20)32(26,27)30-17-16-23(18-22-6-4-3-5-7-22)19-31-33(28,29)25-14-10-21(2)11-15-25/h3-15,23H,16-19H2,1-2H3/t23-/m0/s1