sodium 1-[3-(3-iodanyl-4-oxidanyl-phenyl)propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate

Systemtic Name: sodium 1-[3-(3-iodanyl-4-oxidanyl-phenyl)propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate Openeye Name: sodium 1-[3-(4-hydroxy-3-iodanyl-phenyl)propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonate CAS Name: sodium 1-[3-(4-hydroxy-3-iodanylphenyl)-1-oxopropoxy]-2,5-dioxo-3-pyrrolidinesulfonate IUPAC Name: sodium 1-[3-(4-hydroxy-3-iodanylphenyl)propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate Traditional Name: sodium 1-[3-(4-hydroxy-3-iodanyl-phenyl)propanoyloxy]-2,5-diketo-pyrrolidine-3-sulfonate Formula: C13H11INNaO8S MolecularWeight: 489.187734

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCC2=CC(=C(C=C2)O)I)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCC2=CC(=C(C=C2)O)[125I])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H12INO8S.Na/c14-8-5-7(1-3-9(8)16)2-4-12(18)23-15-11(17)6-10(13(15)19)24(20,21)22;/h1,3,5,10,16H,2,4,6H2,(H,20,21,22);/q;+1/p-1/i14-2;