[2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenyl-butyl] 4-methylbenzenesulfonate Openeye Name: [3-phenyl-2-(p-tolylsulfonyloxymethyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenylbutyl] ester IUPAC Name: [2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-phenyl-2-(tosyloxymethyl)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)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)C(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H28O6S2/c1-19-9-13-24(14-10-19)32(26,27)30-17-23(21(3)22-7-5-4-6-8-22)18-31-33(28,29)25-15-11-20(2)12-16-25/h4-16,21,23H,17-18H2,1-3H3