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

Systemtic Name: 3-[3-[3-[3-[[3-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propoxy]propoxy]propanoylamino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[3-[3-[3-(3-carboxy-2,4,6-triiodo-anilino)-3-oxo-propoxy]propoxy]propanoylamino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[3-[3-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]propoxy]-1-oxopropyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[3-[3-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]propoxy]propanoylamino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[3-[3-[3-(3-carboxy-2,4,6-triiodo-anilino)-3-keto-propoxy]propoxy]propanoylamino]-2,4,6-triiodo-benzoic acid Formula: C23H20I6N2O8 MolecularWeight: 1213.84032

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H20I6N2O8/c24-10-8-12(26)20(18(28)16(10)22(34)35)30-14(32)2-6-38-4-1-5-39-7-3-15(33)31-21-13(27)9-11(25)17(19(21)29)23(36)37/h8-9H,1-7H2,(H,30,32)(H,31,33)(H,34,35)(H,36,37)