sodium 1-[4-(2-iodanylethanoylamino)phenyl]carbonyloxy-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate

Systemtic Name: sodium 1-[4-(2-iodanylethanoylamino)phenyl]carbonyloxy-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate Openeye Name: sodium 1-[4-[(2-iodoacetyl)amino]benzoyl]oxy-2,5-dioxo-pyrrolidine-3-sulfonate CAS Name: sodium 1-[[4-[(2-iodo-1-oxoethyl)amino]phenyl]-oxomethoxy]-2,5-dioxo-3-pyrrolidinesulfonate IUPAC Name: sodium 1-[4-[(2-iodoacetyl)amino]benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonate Traditional Name: sodium 1-[4-[(2-iodoacetyl)amino]benzoyl]oxy-2,5-diketo-pyrrolidine-3-sulfonate Formula: C13H10IN2NaO8S MolecularWeight: 504.18634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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