2,2-bis[[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-3-yl]carbonyl]octanedioic acid

Systemtic Name: 2,2-bis[[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-3-yl]carbonyl]octanedioic acid Openeye Name: 2,2-bis(2,5-dioxo-3-sulfo-pyrrolidine-3-carbonyl)octanedioic acid CAS Name: 2,2-bis[(2,5-dioxo-3-sulfo-3-pyrrolidinyl)-oxomethyl]octanedioic acid IUPAC Name: 2,2-bis(2,5-dioxo-3-sulfopyrrolidine-3-carbonyl)octanedioic acid Traditional Name: 2,2-bis(2,5-diketo-3-sulfo-pyrrolidine-3-carbonyl)suberic acid Formula: C18H20N2O16S2 MolecularWeight: 584.4852

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)C1(C(=O)C(CCCCCC(=O)O)(C(=O)C2(CC(=O)NC2=O)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C(=O)NC(=O)C1(C(=O)C(CCCCCC(=O)O)(C(=O)C2(CC(=O)NC2=O)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H20N2O16S2/c21-8-6-17(13(27)19-8,37(31,32)33)11(25)16(15(29)30,5-3-1-2-4-10(23)24)12(26)18(38(34,35)36)7-9(22)20-14(18)28/h1-7H2,(H,23,24)(H,29,30)(H,19,21,27)(H,20,22,28)(H,31,32,33)(H,34,35,36)