2-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]-4-(2-iodanylethanoylamino)benzoic acid

Systemtic Name: 2-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]-4-(2-iodanylethanoylamino)benzoic acid Openeye Name: 2-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)-4-[(2-iodoacetyl)amino]benzoic acid CAS Name: 2-(2,5-dioxo-3-sulfo-1-pyrrolidinyl)-4-[(2-iodo-1-oxoethyl)amino]benzoic acid IUPAC Name: 2-(2,5-dioxo-3-sulfopyrrolidin-1-yl)-4-[(2-iodoacetyl)amino]benzoic acid Traditional Name: 2-(2,5-diketo-3-sulfo-pyrrolidino)-4-[(2-iodoacetyl)amino]benzoic acid Formula: C13H11IN2O8S MolecularWeight: 482.20451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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