3-[[8-[[3-carboxy-2,4,6-tris(iodanyl)-5-(propylcarbamoyl)phenyl]amino]-8-oxidanylidene-octanoyl]amino]-2,4,6-tris(iodanyl)-5-(propylcarbamoyl)benzoic acid

Systemtic Name: 3-[[8-[[3-carboxy-2,4,6-tris(iodanyl)-5-(propylcarbamoyl)phenyl]amino]-8-oxidanylidene-octanoyl]amino]-2,4,6-tris(iodanyl)-5-(propylcarbamoyl)benzoic acid Openeye Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-(propylcarbamoyl)anilino]-8-oxo-octanoyl]amino]-2,4,6-triiodo-5-(propylcarbamoyl)benzoic acid CAS Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-[oxo(propylamino)methyl]anilino]-1,8-dioxooctyl]amino]-2,4,6-triiodo-5-[oxo(propylamino)methyl]benzoic acid IUPAC Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-(propylcarbamoyl)anilino]-8-oxooctanoyl]amino]-2,4,6-triiodo-5-(propylcarbamoyl)benzoic acid Traditional Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-(propylcarbamoyl)anilino]-8-keto-octanoyl]amino]-2,4,6-triiodo-5-(propylcarbamoyl)benzoic acid Formula: C30H32I6N4O8 MolecularWeight: 1338.0239

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCC)I)I)C(=O)O)I

Isomeric SMILES

CCCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCC)I)I)C(=O)O)I

InChI

InChI=1S/C30H32I6N4O8/c1-3-11-37-27(43)15-19(31)17(29(45)46)23(35)25(21(15)33)39-13(41)9-7-5-6-8-10-14(42)40-26-22(34)16(28(44)38-12-4-2)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)