1-[2-azanyl-3-(2-iodanylethanoyloxycarbonyl)phenyl]-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-sulfonic acid

Systemtic Name: 1-[2-azanyl-3-(2-iodanylethanoyloxycarbonyl)phenyl]-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-sulfonic acid Openeye Name: 1-[2-amino-3-(2-iodoacetyl)oxycarbonyl-phenyl]-2,5-dioxo-pyrrolidin-1-ium-1-sulfonic acid CAS Name: 1-[2-amino-3-[(2-iodo-1-oxoethoxy)-oxomethyl]phenyl]-2,5-dioxo-1-pyrrolidin-1-iumsulfonic acid IUPAC Name: 1-[2-amino-3-(2-iodoacetyl)oxycarbonylphenyl]-2,5-dioxopyrrolidin-1-ium-1-sulfonic acid Traditional Name: 1-[2-amino-3-(2-iodoacetyl)oxycarbonyl-phenyl]-2,5-diketo-pyrrolidin-1-ium-1-sulfonic acid Formula: C13H12IN2O8S+ MolecularWeight: 483.21245

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1=O)(C2=CC=CC(=C2N)C(=O)OC(=O)CI)S(=O)(=O)O

Isomeric SMILES

C1CC(=O)[N+](C1=O)(C2=CC=CC(=C2N)C(=O)OC(=O)CI)S(=O)(=O)O

InChI

InChI=1S/C13H11IN2O8S/c14-6-11(19)24-13(20)7-2-1-3-8(12(7)15)16(25(21,22)23)9(17)4-5-10(16)18/h1-3H,4-6H2,(H2-,15,20,21,22,23)/p+1