4-(dioxidanyl)-6-(4-methylphenyl)sulfonyloxy-2,3,5-tris(oxidanyl)hexanoate

Systemtic Name: 4-(dioxidanyl)-6-(4-methylphenyl)sulfonyloxy-2,3,5-tris(oxidanyl)hexanoate Openeye Name: 4-hydroperoxy-2,3,5-trihydroxy-6-(p-tolylsulfonyloxy)hexanoate CAS Name: 4-hydroperoxy-2,3,5-trihydroxy-6-(4-methylphenyl)sulfonyloxyhexanoate IUPAC Name: 4-hydroperoxy-2,3,5-trihydroxy-6-(4-methylphenyl)sulfonyloxyhexanoate Traditional Name: 4-hydroperoxy-2,3,5-trihydroxy-6-tosyloxy-hexanoate Formula: C13H17O10S- MolecularWeight: 365.33308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C(=O)[O-])O)O)OO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C(=O)[O-])O)O)OO)O

InChI

InChI=1S/C13H18O10S/c1-7-2-4-8(5-3-7)24(20,21)22-6-9(14)12(23-19)10(15)11(16)13(17)18/h2-5,9-12,14-16,19H,6H2,1H3,(H,17,18)/p-1