[2,2,2-tris(bromanyl)-1-pyridin-3-yl-ethyl] benzenesulfonate

Systemtic Name: [2,2,2-tris(bromanyl)-1-pyridin-3-yl-ethyl] benzenesulfonate Openeye Name: [2,2,2-tribromo-1-(3-pyridyl)ethyl] benzenesulfonate CAS Name: benzenesulfonic acid [2,2,2-tribromo-1-(3-pyridinyl)ethyl] ester IUPAC Name: (2,2,2-tribromo-1-pyridin-3-ylethyl) benzenesulfonate Traditional Name: benzenesulfonic acid [2,2,2-tribromo-1-(3-pyridyl)ethyl] ester Formula: C13H10Br3NO3S MolecularWeight: 500.0004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC(C2=CN=CC=C2)C(Br)(Br)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC(C2=CN=CC=C2)C(Br)(Br)Br

InChI

InChI=1S/C13H10Br3NO3S/c14-13(15,16)12(10-5-4-8-17-9-10)20-21(18,19)11-6-2-1-3-7-11/h1-9,12H