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

Systemtic Name: 3-[2-[2-[2-[2-[[3-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethanoylamino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodo-anilino)-2-oxo-ethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]ethoxy]ethoxy]-1-oxoethyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodo-anilino)-2-keto-ethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodo-benzoic acid Formula: C22H18I6N2O9 MolecularWeight: 1215.81314

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)