3-[[4-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Carbamoyl]Benzoyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid
[CAS# 13013-78-0]

Identification

• Name: 3-[[4-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Carbamoyl]Benzoyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid
• Synonyms: 3-[[[4-[[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Amino]-Oxomethyl]Phenyl]-Oxomethyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; 3-[[4-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Carbamoyl]Phenyl]Carbonylamino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; Isophthalamic Acid, 5,5'-(1,4-Phenylenebis(Carbonylimino))Bis(N-Methyl-2,4,6-Tri
• Molecular Formula: C₂₆H₁₆I₆N₄O₈
• Molecular Weight: 1273.86
• CAS Registry Number: 13013-78-0
• SMILES: C2=C(C(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)O)C(=O)NC)C=CC(=C2)C(=O)NC3=C(I)C(=C(I)C(=C3I)C(=O)O)C(=O)NC
• 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)
• InChIKey: DMBFAHBQOUZNMT-UHFFFAOYSA-N

Properties

• Density: 2.625g/cm³ (Cal.)
• Boiling point: 739.967°C at 760 mmHg (Cal.)
• Flash point: 401.317°C (Cal.)