sodium 3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)-5-[2-[[2,4,6-tris(iodanyl)-3-(methylcarbamoyl)-5-(2-oxidanylidenepropylamino)phenyl]carbonylamino]ethanoylamino]benzoate

Systemtic Name: sodium 3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)-5-[2-[[2,4,6-tris(iodanyl)-3-(methylcarbamoyl)-5-(2-oxidanylidenepropylamino)phenyl]carbonylamino]ethanoylamino]benzoate Openeye Name: sodium 3-[[2-[[3-(acetonylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoate CAS Name: sodium 3-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodo-5-[[1-oxo-2-[[oxo-[2,4,6-triiodo-3-(methylcarbamoyl)-5-(2-oxopropylamino)phenyl]methyl]amino]ethyl]amino]benzoate IUPAC Name: sodium 3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-5-[[2-[[2,4,6-triiodo-3-(methylcarbamoyl)-5-(2-oxopropylamino)benzoyl]amino]acetyl]amino]benzoate Traditional Name: sodium 3-[[2-[[3-(acetonylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoate Formula: C24H20I6N5NaO8 MolecularWeight: 1290.86089

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)[O-])I)C(=O)NCCO)I)I)C(=O)NC)I.[Na+]

Isomeric SMILES

CC(=O)CNC1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)[O-])I)C(=O)NCCO)I)I)C(=O)NC)I.[Na+]

InChI

InChI=1S/C24H21I6N5O8.Na/c1-7(37)5-33-19-15(27)9(21(39)31-2)13(25)10(16(19)28)23(41)34-6-8(38)35-20-17(29)11(22(40)32-3-4-36)14(26)12(18(20)30)24(42)43;/h33,36H,3-6H2,1-2H3,(H,31,39)(H,32,40)(H,34,41)(H,35,38)(H,42,43);/q;+1/p-1