1-[4-(2-iodanylethanoylamino)phenyl]carbonyloxy-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-sulfonic acid

Systemtic Name: 1-[4-(2-iodanylethanoylamino)phenyl]carbonyloxy-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-sulfonic acid Openeye Name: 1-[4-[(2-iodoacetyl)amino]benzoyl]oxy-2,5-dioxo-pyrrolidin-1-ium-1-sulfonic acid CAS Name: 1-[[4-[(2-iodo-1-oxoethyl)amino]phenyl]-oxomethoxy]-2,5-dioxo-1-pyrrolidin-1-iumsulfonic acid IUPAC Name: 1-[4-[(2-iodoacetyl)amino]benzoyl]oxy-2,5-dioxopyrrolidin-1-ium-1-sulfonic acid Traditional Name: 1-[4-[(2-iodoacetyl)amino]benzoyl]oxy-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)(OC(=O)C2=CC=C(C=C2)NC(=O)CI)S(=O)(=O)O

Isomeric SMILES

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

InChI

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