sodium 3-[3-[2-[2-[2-[3-[[3-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: sodium 3-[3-[2-[2-[2-[3-[[3-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-tris(iodanyl)benzoate Openeye Name: sodium 3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodo-anilino)-3-oxo-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoate CAS Name: sodium 3-[[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-1-oxopropyl]amino]-2,4,6-triiodobenzoate IUPAC Name: sodium 3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoate Traditional Name: sodium 3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodo-anilino)-3-keto-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoate Formula: C26H25I6N2NaO10 MolecularWeight: 1309.90069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26I6N2O10.Na/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40;/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40);/q;+1/p-1