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)benzoic acid

Systemtic Name: 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)benzoic acid Openeye Name: 3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodo-anilino)-3-oxo-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-1-oxopropyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodo-anilino)-3-keto-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoic acid Formula: C26H26I6N2O10 MolecularWeight: 1287.91886

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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

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

InChI

InChI=1S/C26H26I6N2O10/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)