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

Systemtic Name: 3-[[8-[[3-carboxy-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]amino]-8-oxidanylidene-octanoyl]amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid Openeye Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-8-oxo-octanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid CAS Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-1,8-dioxooctyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid IUPAC Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-8-oxooctanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Traditional Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-8-keto-octanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Formula: C26H24I6N4O8 MolecularWeight: 1281.91758

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H24I6N4O8/c1-33-23(39)11-15(27)13(25(41)42)19(31)21(17(11)29)35-9(37)7-5-3-4-6-8-10(38)36-22-18(30)12(24(40)34-2)16(28)14(20(22)32)26(43)44/h3-8H2,1-2H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)(H,41,42)(H,43,44)