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

Systemtic Name: [1,1-bis(chloranyl)-3,3-dimethyl-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-(dichloromethyl)-2,2-dimethyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,1-dichloro-3,3-dimethylbutan-2-yl) ester IUPAC Name: (1,1-dichloro-3,3-dimethylbutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(dichloromethyl)-2,2-dimethyl-propyl] ester Formula: C13H18Cl2O3S MolecularWeight: 325.25122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18Cl2O3S/c1-9-5-7-10(8-6-9)19(16,17)18-11(12(14)15)13(2,3)4/h5-8,11-12H,1-4H3