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

Systemtic Name: 2-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]-4-[(2-chloranyl-2-iodanyl-ethanoyl)amino]benzoate Openeye Name: 4-[(2-chloro-2-iodo-acetyl)amino]-2-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)benzoate CAS Name: 4-[(2-chloro-2-iodo-1-oxoethyl)amino]-2-(2,5-dioxo-3-sulfo-1-pyrrolidinyl)benzoate IUPAC Name: 4-[(2-chloro-2-iodoacetyl)amino]-2-(2,5-dioxo-3-sulfopyrrolidin-1-yl)benzoate Traditional Name: 4-[(2-chloro-2-iodo-acetyl)amino]-2-(2,5-diketo-3-sulfo-pyrrolidino)benzoate Formula: C13H9ClIN2O8S- MolecularWeight: 515.64163

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=C(C=CC(=C2)NC(=O)C(Cl)I)C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=C(C=CC(=C2)NC(=O)C(Cl)I)C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C13H10ClIN2O8S/c14-10(15)11(19)16-5-1-2-6(13(21)22)7(3-5)17-9(18)4-8(12(17)20)26(23,24)25/h1-3,8,10H,4H2,(H,16,19)(H,21,22)(H,23,24,25)/p-1