2,2-bis[1-oxidanyl-2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-ium-1-yl]octanedioate

Systemtic Name: 2,2-bis[1-oxidanyl-2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-ium-1-yl]octanedioate Openeye Name: 2,2-bis(1-hydroxy-2,5-dioxo-3-sulfo-pyrrolidin-1-ium-1-yl)octanedioate CAS Name: 2,2-bis(1-hydroxy-2,5-dioxo-3-sulfo-1-pyrrolidin-1-iumyl)octanedioate IUPAC Name: 2,2-bis(1-hydroxy-2,5-dioxo-3-sulfopyrrolidin-1-ium-1-yl)octanedioate Traditional Name: 2,2-bis(1-hydroxy-2,5-diketo-3-sulfo-pyrrolidin-1-ium-1-yl)suberate Formula: C16H20N2O16S2 MolecularWeight: 560.4638

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)[N+](C1=O)(C(CCCCCC(=O)[O-])(C(=O)[O-])[N+]2(C(=O)CC(C2=O)S(=O)(=O)O)O)O)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)[N+](C1=O)(C(CCCCCC(=O)[O-])(C(=O)[O-])[N+]2(C(=O)CC(C2=O)S(=O)(=O)O)O)O)S(=O)(=O)O

InChI

InChI=1S/C16H20N2O16S2/c19-10-6-8(35(29,30)31)13(23)17(10,27)16(15(25)26,5-3-1-2-4-12(21)22)18(28)11(20)7-9(14(18)24)36(32,33)34/h8-9,27-28H,1-7H2,(H2-2,21,22,25,26,29,30,31,32,33,34)