3-[[12-[[3-carboxy-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]amino]-12-oxidanylidene-dodecanoyl]amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid

Systemtic Name: 3-[[12-[[3-carboxy-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]amino]-12-oxidanylidene-dodecanoyl]amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid Openeye Name: 3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-12-oxo-dodecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid CAS Name: 3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-1,12-dioxododecyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid IUPAC Name: 3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-12-oxododecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Traditional Name: 3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-12-keto-dodecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Formula: C30H32I6N4O8 MolecularWeight: 1338.0239

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCCCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I

Isomeric SMILES

CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCCCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I

InChI

InChI=1S/C30H32I6N4O8/c1-37-27(43)15-19(31)17(29(45)46)23(35)25(21(15)33)39-13(41)11-9-7-5-3-4-6-8-10-12-14(42)40-26-22(34)16(28(44)38-2)20(32)18(24(26)36)30(47)48/h3-12H2,1-2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42)(H,45,46)(H,47,48)