O4-[2-(dioxidanyl)-3-methyl-but-3-enyl] O1-[(1-ethylpyridin-1-ium-4-yl)methyl] butanedioate

Systemtic Name: O4-[2-(dioxidanyl)-3-methyl-but-3-enyl] O1-[(1-ethylpyridin-1-ium-4-yl)methyl] butanedioate Openeye Name: O1-[(1-ethylpyridin-1-ium-4-yl)methyl] O4-(2-hydroperoxy-3-methyl-but-3-enyl) butanedioate CAS Name: butanedioic acid O1-[(1-ethyl-4-pyridin-1-iumyl)methyl] ester O4-(2-hydroperoxy-3-methylbut-3-enyl) ester IUPAC Name: 1-O-[(1-ethylpyridin-1-ium-4-yl)methyl] 4-O-(2-hydroperoxy-3-methylbut-3-enyl) butanedioate Traditional Name: succinic acid O1-[(1-ethylpyridin-1-ium-4-yl)methyl] ester O4-(2-hydroperoxy-3-methyl-but-3-enyl) ester Formula: C17H24NO6+ MolecularWeight: 338.37556

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)COC(=O)CCC(=O)OCC(C(=C)C)OO

Isomeric SMILES

CC[N+]1=CC=C(C=C1)COC(=O)CCC(=O)OCC(C(=C)C)OO

InChI

InChI=1S/C17H23NO6/c1-4-18-9-7-14(8-10-18)11-22-16(19)5-6-17(20)23-12-15(24-21)13(2)3/h7-10,15H,2,4-6,11-12H2,1,3H3/p+1