[1,1,1-tris(chloranyl)-3,3-dimethyl-butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1,1,1-tris(chloranyl)-3,3-dimethyl-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [2,2-dimethyl-1-(trichloromethyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,1,1-trichloro-3,3-dimethylbutan-2-yl) ester IUPAC Name: (1,1,1-trichloro-3,3-dimethylbutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-1-(trichloromethyl)propyl] ester Formula: C13H17Cl3O3S MolecularWeight: 359.69628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)(C)C)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)(C)C)C(Cl)(Cl)Cl

InChI

InChI=1S/C13H17Cl3O3S/c1-9-5-7-10(8-6-9)20(17,18)19-11(12(2,3)4)13(14,15)16/h5-8,11H,1-4H3