disodium 3-[2-[2-[[3-carboxylato-2,4,6-tris(iodanyl)phenyl]amino]-2-oxidanylidene-ethoxy]ethanoylamino]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: disodium 3-[2-[2-[[3-carboxylato-2,4,6-tris(iodanyl)phenyl]amino]-2-oxidanylidene-ethoxy]ethanoylamino]-2,4,6-tris(iodanyl)benzoate Openeye Name: disodium 3-[[2-[2-(3-carboxylato-2,4,6-triiodo-anilino)-2-oxo-ethoxy]acetyl]amino]-2,4,6-triiodo-benzoate CAS Name: disodium 3-[[2-[2-(3-carboxylato-2,4,6-triiodoanilino)-2-oxoethoxy]-1-oxoethyl]amino]-2,4,6-triiodobenzoate IUPAC Name: disodium 3-[[2-[2-(3-carboxylato-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoate Traditional Name: disodium 3-[[2-[2-(3-carboxylato-2,4,6-triiodo-anilino)-2-keto-ethoxy]acetyl]amino]-2,4,6-triiodo-benzoate Formula: C18H8I6N2Na2O7 MolecularWeight: 1171.67168

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)NC(=O)COCC(=O)NC2=C(C=C(C(=C2I)C(=O)[O-])I)I)I)C(=O)[O-])I.[Na+].[Na+]

Isomeric SMILES

C1=C(C(=C(C(=C1I)NC(=O)COCC(=O)NC2=C(C=C(C(=C2I)C(=O)[O-])I)I)I)C(=O)[O-])I.[Na+].[Na+]

InChI

InChI=1S/C18H10I6N2O7.2Na/c19-5-1-7(21)15(13(23)11(5)17(29)30)25-9(27)3-33-4-10(28)26-16-8(22)2-6(20)12(14(16)24)18(31)32;;/h1-2H,3-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32);;/q;2*+1/p-2