[4,4-dimethyl-5-(4-methylphenyl)sulfonyloxy-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [4,4-dimethyl-5-(4-methylphenyl)sulfonyloxy-pentyl] 4-methylbenzenesulfonate Openeye Name: [4,4-dimethyl-5-(p-tolylsulfonyloxy)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,4-dimethyl-5-(4-methylphenyl)sulfonyloxypentyl] ester IUPAC Name: [4,4-dimethyl-5-(4-methylphenyl)sulfonyloxypentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4,4-dimethyl-5-tosyloxy-pentyl) ester Formula: C21H28O6S2 MolecularWeight: 440.57342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C)(C)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C)(C)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28O6S2/c1-17-6-10-19(11-7-17)28(22,23)26-15-5-14-21(3,4)16-27-29(24,25)20-12-8-18(2)9-13-20/h6-13H,5,14-16H2,1-4H3