[3-chloranyl-2-(chloromethyl)-2-methyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-chloranyl-2-(chloromethyl)-2-methyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-chloro-2-(chloromethyl)-2-methyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-chloro-2-(chloromethyl)-2-methylpropyl] ester IUPAC Name: [3-chloro-2-(chloromethyl)-2-methylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-chloro-2-(chloromethyl)-2-methyl-propyl] ester Formula: C12H16Cl2O3S MolecularWeight: 311.22464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(CCl)CCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(CCl)CCl

InChI

InChI=1S/C12H16Cl2O3S/c1-10-3-5-11(6-4-10)18(15,16)17-9-12(2,7-13)8-14/h3-6H,7-9H2,1-2H3