3-[[4-[[3-carboxy-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbamoyl]phenyl]carbonylamino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid

Systemtic Name: 3-[[4-[[3-carboxy-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbamoyl]phenyl]carbonylamino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid Openeye Name: 3-[[4-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]benzoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid CAS Name: 3-[[[4-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-oxomethyl]phenyl]-oxomethyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid IUPAC Name: 3-[[4-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]benzoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Traditional Name: 3-[[4-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]benzoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Formula: C26H16I6N4O8 MolecularWeight: 1273.85406

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(C(=C3I)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)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I

InChI

InChI=1S/C26H16I6N4O8/c1-33-23(39)9-13(27)11(25(41)42)17(31)19(15(9)29)35-21(37)7-3-5-8(6-4-7)22(38)36-20-16(30)10(24(40)34-2)14(28)12(18(20)32)26(43)44/h3-6H,1-2H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)(H,41,42)(H,43,44)