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

Systemtic Name: disodium 3-[[6-[[3-carboxylato-2,4,6-tris(iodanyl)phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)benzoate Openeye Name: disodium 3-[[6-[3-carboxylato-2,4,6-tris(iodanyl)anilino]-6-oxo-hexanoyl]amino]-2,4,6-tris(iodanyl)benzoate CAS Name: disodium 3-[[6-[3-carboxylato-2,4,6-tris(iodanyl)anilino]-1,6-dioxohexyl]amino]-2,4,6-tris(iodanyl)benzoate IUPAC Name: disodium 3-[[6-[3-carboxylato-2,4,6-tris(iodanyl)anilino]-6-oxohexanoyl]amino]-2,4,6-tris(iodanyl)benzoate Traditional Name: disodium 3-[[6-[3-carboxylato-2,4,6-tris(iodanyl)anilino]-6-keto-hexanoyl]amino]-2,4,6-tris(iodanyl)benzoate Formula: C20H12I6N2Na2O6 MolecularWeight: 1207.735365

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=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(=C1[131I])NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2[131I])C(=O)[O-])[131I])[131I])[131I])C(=O)[O-])[131I].[Na+].[Na+]

InChI

InChI=1S/C20H14I6N2O6.2Na/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34;;/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34);;/q;2*+1/p-2/i21+4,22+4,23+4,24+4,25+4,26+4;;