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

Systemtic Name: 1-[4-(2-iodanylethanoylamino)phenyl]carbonyloxy-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[4-[(2-iodoacetyl)amino]benzoyl]oxy-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[[4-[(2-iodo-1-oxoethyl)amino]phenyl]-oxomethoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[4-[(2-iodoacetyl)amino]benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[4-[(2-iodoacetyl)amino]benzoyl]oxy-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C13H11IN2O8S MolecularWeight: 482.20451

Click to see the large picture

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

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)NC(=O)CI)S(=O)(=O)O

InChI

InChI=1S/C13H11IN2O8S/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)