2-[2,5-bis(oxidanylidene)-3,3-disulfo-pyrrolidin-1-yl]octanedioic acid

Systemtic Name: 2-[2,5-bis(oxidanylidene)-3,3-disulfo-pyrrolidin-1-yl]octanedioic acid Openeye Name: 2-(2,5-dioxo-3,3-disulfo-pyrrolidin-1-yl)octanedioic acid CAS Name: 2-(2,5-dioxo-3,3-disulfo-1-pyrrolidinyl)octanedioic acid IUPAC Name: 2-(2,5-dioxo-3,3-disulfopyrrolidin-1-yl)octanedioic acid Traditional Name: 2-(2,5-diketo-3,3-disulfo-pyrrolidino)suberic acid Formula: C12H17NO12S2 MolecularWeight: 431.39288

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)C1(S(=O)(=O)O)S(=O)(=O)O)C(CCCCCC(=O)O)C(=O)O

Isomeric SMILES

C1C(=O)N(C(=O)C1(S(=O)(=O)O)S(=O)(=O)O)C(CCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C12H17NO12S2/c14-8-6-12(26(20,21)22,27(23,24)25)11(19)13(8)7(10(17)18)4-2-1-3-5-9(15)16/h7H,1-6H2,(H,15,16)(H,17,18)(H,20,21,22)(H,23,24,25)