[1,1-bis(chloranyl)-4-methyl-pentan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1,1-bis(chloranyl)-4-methyl-pentan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-(dichloromethyl)-3-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,1-dichloro-4-methylpentan-2-yl) ester IUPAC Name: (1,1-dichloro-4-methylpentan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(dichloromethyl)-3-methyl-butyl] 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(CC(C)C)C(Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H18Cl2O3S/c1-9(2)8-12(13(14)15)18-19(16,17)11-6-4-10(3)5-7-11/h4-7,9,12-13H,8H2,1-3H3