3-[3-[2-[2-[3-[[3-carboxy-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid

Systemtic Name: 3-[3-[2-[2-[3-[[3-carboxy-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid Openeye Name: 3-[3-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxo-propoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid CAS Name: 3-[[3-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]-1-oxopropyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid IUPAC Name: 3-[3-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Traditional Name: 3-[3-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-keto-propoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Formula: C28H28I6N4O11 MolecularWeight: 1357.96894

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I

Isomeric SMILES

CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I

InChI

InChI=1S/C28H28I6N4O11/c1-35-25(41)13-17(29)15(27(43)44)21(33)23(19(13)31)37-11(39)3-5-47-7-9-49-10-8-48-6-4-12(40)38-24-20(32)14(26(42)36-2)18(30)16(22(24)34)28(45)46/h3-10H2,1-2H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40)(H,43,44)(H,45,46)