4-[[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]-(2-iodanylethanoyl)amino]benzoate

Systemtic Name: 4-[[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]-(2-iodanylethanoyl)amino]benzoate Openeye Name: 4-[(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)-(2-iodoacetyl)amino]benzoate CAS Name: 4-[(2,5-dioxo-3-sulfo-1-pyrrolidinyl)-(2-iodo-1-oxoethyl)amino]benzoate IUPAC Name: 4-[(2,5-dioxo-3-sulfopyrrolidin-1-yl)-(2-iodoacetyl)amino]benzoate Traditional Name: 4-[(2,5-diketo-3-sulfo-pyrrolidino)-(2-iodoacetyl)amino]benzoate Formula: C13H10IN2O8S- MolecularWeight: 481.19657

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)N(C2=CC=C(C=C2)C(=O)[O-])C(=O)CI)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)N(C2=CC=C(C=C2)C(=O)[O-])C(=O)CI)S(=O)(=O)O

InChI

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