[2-(cyclobutylmethyl)-3-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(cyclobutylmethyl)-3-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate Openeye Name: [2-(cyclobutylmethyl)-3-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(cyclobutylmethyl)-3-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [2-(cyclobutylmethyl)-3-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(cyclobutylmethyl)-3-tosyloxy-propyl] ester Formula: C22H28O6S2 MolecularWeight: 452.58412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2CCC2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2CCC2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28O6S2/c1-17-6-10-21(11-7-17)29(23,24)27-15-20(14-19-4-3-5-19)16-28-30(25,26)22-12-8-18(2)9-13-22/h6-13,19-20H,3-5,14-16H2,1-2H3