[2,2-bis(bromanyl)-1-cyclopropyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2,2-bis(bromanyl)-1-cyclopropyl-ethyl] 4-methylbenzenesulfonate Openeye Name: (2,2-dibromo-1-cyclopropyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2-dibromo-1-cyclopropylethyl) ester IUPAC Name: (2,2-dibromo-1-cyclopropylethyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2-dibromo-1-cyclopropyl-ethyl) ester Formula: C12H14Br2O3S MolecularWeight: 398.11076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14Br2O3S/c1-8-2-6-10(7-3-8)18(15,16)17-11(12(13)14)9-4-5-9/h2-3,6-7,9,11-12H,4-5H2,1H3