Iotroxic Acid
[CAS# 51022-74-3]

Identification

• Name: Iotroxic Acid
• Synonyms: 3-[[2-[2-[2-[2-[(3-Carboxy-2,4,6-Triiodo-Phenyl)Amino]-2-Oxo-Ethoxy]Ethoxy]Ethoxy]Acetyl]Amino]-2,4,6-Triiodo-Benzoic Acid; 3-[[2-[2-[2-[2-[(3-Carboxy-2,4,6-Triiodophenyl)Amino]-2-Oxoethoxy]Ethoxy]Ethoxy]-1-Oxoethyl]Amino]-2,4,6-Triiodobenzoic Acid; 3-[[2-[2-[2-[2-[(3-Carboxy-2,4,6-Triiodo-Phenyl)Amino]-2-Keto-Ethoxy]Ethoxy]Ethoxy]Acetyl]Amino]-2,4,6-Triiodo-Benzoic Acid
• Molecular Formula: C₂₂H₁₈I₆N₂O₉
• Molecular Weight: 1215.82
• CAS Registry Number: 51022-74-3
• EINECS: 256-917-3
• SMILES: C1=C(C(=C(C(=C1I)NC(COCCOCCOCC(NC2=C(C(=C(I)C=C2I)C(O)=O)I)=O)=O)I)C(O)=O)I
• InChI: 1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
• InChIKey: JXMIBUGMYLQZGO-UHFFFAOYSA-N

Properties

• Density: 2.648g/cm³ (Cal.)
• Boiling point: 938.793°C at 760 mmHg (Cal.)
• Flash point: 521.563°C (Cal.)