(E)-7-(methylsulfonyloxymethyl)-8-pyridin-3-yl-oct-4-eneperoxoic acid

Systemtic Name: (E)-7-(methylsulfonyloxymethyl)-8-pyridin-3-yl-oct-4-eneperoxoic acid Openeye Name: (E)-7-(methylsulfonyloxymethyl)-8-(3-pyridyl)oct-4-eneperoxoic acid CAS Name: (E)-7-(methylsulfonyloxymethyl)-8-(3-pyridinyl)-4-octeneperoxoic acid IUPAC Name: (E)-7-(methylsulfonyloxymethyl)-8-pyridin-3-yloct-4-eneperoxoic acid Traditional Name: (E)-7-(methylsulfonyloxymethyl)-8-(3-pyridyl)oct-4-eneperoxoic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC(CC=CCCC(=O)OO)CC1=CN=CC=C1

Isomeric SMILES

CS(=O)(=O)OCC(C/C=C/CCC(=O)OO)CC1=CN=CC=C1

InChI

InChI=1S/C15H21NO6S/c1-23(19,20)21-12-14(10-13-7-5-9-16-11-13)6-3-2-4-8-15(17)22-18/h2-3,5,7,9,11,14,18H,4,6,8,10,12H2,1H3/b3-2+