[2,2,2-tris(chloranyl)-1-cyclopropyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2,2,2-tris(chloranyl)-1-cyclopropyl-ethyl] 4-methylbenzenesulfonate Openeye Name: (2,2,2-trichloro-1-cyclopropyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2,2-trichloro-1-cyclopropylethyl) ester IUPAC Name: (2,2,2-trichloro-1-cyclopropylethyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2,2-trichloro-1-cyclopropyl-ethyl) ester Formula: C12H13Cl3O3S MolecularWeight: 343.65382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CC2)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CC2)C(Cl)(Cl)Cl

InChI

InChI=1S/C12H13Cl3O3S/c1-8-2-6-10(7-3-8)19(16,17)18-11(9-4-5-9)12(13,14)15/h2-3,6-7,9,11H,4-5H2,1H3