3-aminocarbonyl-5-[[6-[[3-aminocarbonyl-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-aminocarbonyl-5-[[6-[[3-aminocarbonyl-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-carbamoyl-5-[[6-(3-carbamoyl-5-carboxy-2,4,6-triiodo-anilino)-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-carbamoyl-5-[[6-(3-carbamoyl-5-carboxy-2,4,6-triiodoanilino)-1,6-dioxohexyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-carbamoyl-5-[[6-(3-carbamoyl-5-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-carbamoyl-5-[[6-(3-carbamoyl-5-carboxy-2,4,6-triiodo-anilino)-6-keto-hexanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C22H16I6N4O8 MolecularWeight: 1225.81126

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N)I)CC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)N)I

Isomeric SMILES

C(CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N)I)CC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)N)I

InChI

InChI=1S/C22H16I6N4O8/c23-11-7(19(29)35)13(25)17(15(27)9(11)21(37)38)31-5(33)3-1-2-4-6(34)32-18-14(26)8(20(30)36)12(24)10(16(18)28)22(39)40/h1-4H2,(H2,29,35)(H2,30,36)(H,31,33)(H,32,34)(H,37,38)(H,39,40)