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

Systemtic Name: 3-[3-[2-[3-[[3-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]propanoylamino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[3-[2-[3-(3-carboxy-2,4,6-triiodo-anilino)-3-oxo-propoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[3-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]-1-oxopropyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[3-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[3-[2-[3-(3-carboxy-2,4,6-triiodo-anilino)-3-keto-propoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoic acid Formula: C22H18I6N2O8 MolecularWeight: 1199.81374

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCC(=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)CCOCCOCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I

InChI

InChI=1S/C22H18I6N2O8/c23-9-7-11(25)19(17(27)15(9)21(33)34)29-13(31)1-3-37-5-6-38-4-2-14(32)30-20-12(26)8-10(24)16(18(20)28)22(35)36/h7-8H,1-6H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)