Iozomic acid
[CAS# 31598-07-9]

Identification

• Name: Iozomic acid
• Synonyms: 3-[Acetyl-[3-[4-[3-[Acetyl-[3-(Acetyl-Methyl-Amino)-5-Carboxy-2,4,6-Triiodo-Phenyl]Amino]-2-Hydroxy-Propoxy]Butoxy]-2-Hydroxy-Propyl]Amino]-5-(Acetyl-Methyl-Amino)-2,4,6-Triiodo-Benzoic Acid; 3-[[3-[4-[3-[[3-Carboxy-5-(Ethanoyl-Methyl-Amino)-2,4,6-Triiodo-Phenyl]-Ethanoyl-Amino]-2-Hydroxy-Propoxy]Butoxy]-2-Hydroxy-Propyl]-Ethanoyl-Amino]-5-(Ethanoyl-Methyl-Amino)-2,4,6-Triiodo-Benzoic Acid; 3,3'-(Tetramethyl-Enebis(Oxy(2-Hydroxytrimethylene)Acetylimino)))-Bis(2,4,6-Triiodo-5-(N-Methylacetamido)Benzoic Acid)
• Molecular Formula: C₃₄H₄₀I₆N₄O₁₂
• Molecular Weight: 1458.14
• CAS Registry Number: 31598-07-9
• SMILES: C(N(C1=C(C(=C(C(=C1I)N(C(C)=O)C)I)C(O)=O)I)C(C)=O)C(COCCCCOCC(CN(C2=C(C(=C(I)C(=C2I)C(O)=O)N(C(C)=O)C)I)C(C)=O)O)O
• InChI: 1S/C34H40I6N4O12/c1-15(45)41(5)29-23(35)21(33(51)52)25(37)31(27(29)39)43(17(3)47)11-19(49)13-55-9-7-8-10-56-14-20(50)12-44(18(4)48)32-26(38)22(34(53)54)24(36)30(28(32)40)42(6)16(2)46/h19-20,49-50H,7-14H2,1-6H3,(H,51,52)(H,53,54)
• InChIKey: PTZLONROPJVDRQ-UHFFFAOYSA-N

Properties

• Density: 2.227g/cm³ (Cal.)
• Boiling point: 1125.554°C at 760 mmHg (Cal.)
• Flash point: 634.512°C (Cal.)