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

Systemtic Name: [3,3-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate Openeye Name: [3,3-dimethyl-2-(p-tolylsulfonyloxymethyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,3-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] ester IUPAC Name: [3,3-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3,3-dimethyl-2-(tosyloxymethyl)butyl] ester Formula: C21H28O6S2 MolecularWeight: 440.57342

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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)(C)C

Isomeric SMILES

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

InChI

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