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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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