[1,2,2-tris[(4-methylphenyl)sulfonyloxymethyl]cyclobutyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1,2,2-tris[(4-methylphenyl)sulfonyloxymethyl]cyclobutyl]methyl 4-methylbenzenesulfonate Openeye Name: [1,2,2-tris(p-tolylsulfonyloxymethyl)cyclobutyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1,2,2-tris[(4-methylphenyl)sulfonyloxymethyl]cyclobutyl]methyl ester IUPAC Name: [1,2,2-tris[(4-methylphenyl)sulfonyloxymethyl]cyclobutyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1,2,2-tris(tosyloxymethyl)cyclobutyl]methyl ester Formula: C36H40O12S4 MolecularWeight: 792.9556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCC2(COS(=O)(=O)C3=CC=C(C=C3)C)COS(=O)(=O)C4=CC=C(C=C4)C)COS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCC2(COS(=O)(=O)C3=CC=C(C=C3)C)COS(=O)(=O)C4=CC=C(C=C4)C)COS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C36H40O12S4/c1-27-5-13-31(14-6-27)49(37,38)45-23-35(24-46-50(39,40)32-15-7-28(2)8-16-32)21-22-36(35,25-47-51(41,42)33-17-9-29(3)10-18-33)26-48-52(43,44)34-19-11-30(4)12-20-34/h5-20H,21-26H2,1-4H3