[6-(dioxidanylmethyl)-5-methyl-pyridin-3-yl] 2-bromanylethanesulfonate

Systemtic Name: [6-(dioxidanylmethyl)-5-methyl-pyridin-3-yl] 2-bromanylethanesulfonate Openeye Name: [6-(hydroperoxymethyl)-5-methyl-3-pyridyl] 2-bromoethanesulfonate CAS Name: 2-bromoethanesulfonic acid [6-(hydroperoxymethyl)-5-methyl-3-pyridinyl] ester IUPAC Name: [6-(hydroperoxymethyl)-5-methylpyridin-3-yl] 2-bromoethanesulfonate Traditional Name: 2-bromoethanesulfonic acid [6-(hydroperoxymethyl)-5-methyl-3-pyridyl] ester Formula: C9H12BrNO5S MolecularWeight: 326.16428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1COO)OS(=O)(=O)CCBr

Isomeric SMILES

CC1=CC(=CN=C1COO)OS(=O)(=O)CCBr

InChI

InChI=1S/C9H12BrNO5S/c1-7-4-8(5-11-9(7)6-15-12)16-17(13,14)3-2-10/h4-5,12H,2-3,6H2,1H3