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

Systemtic Name: 3-[3-[2-[2-[3-[[3-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[3-[2-[2-[3-(3-carboxy-2,4,6-triiodo-anilino)-3-oxo-propoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[3-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]-1-oxopropyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[3-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[3-[2-[2-[3-(3-carboxy-2,4,6-triiodo-anilino)-3-keto-propoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoic acid Formula: C24H22I6N2O9 MolecularWeight: 1243.8663

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H22I6N2O9/c25-11-9-13(27)21(19(29)17(11)23(35)36)31-15(33)1-3-39-5-7-41-8-6-40-4-2-16(34)32-22-14(28)10-12(26)18(20(22)30)24(37)38/h9-10H,1-8H2,(H,31,33)(H,32,34)(H,35,36)(H,37,38)