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Iosefamic acid
[CAS 5591-33-3]

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Identification
Name Iosefamic acid
Synonyms 3-[[10-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Amino]-10-Oxo-Decanoyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; 3-[[10-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Amino]-1,10-Dioxodecyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; 3-[[10-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Amino]-10-Keto-Decanoyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid
Molecular Structure CAS#: 5591-33-3, Iosefamic acid
Molecular Formula C28H28I6N4O8
Molecular Weight 1309.98
CAS Registry Number 5591-33-3
SMILES C(C(NC1=C(C(=C(C(=C1I)C(NC)=O)I)C(O)=O)I)=O)CCCCCCCC(NC2=C(C(=C(C(=C2I)C(NC)=O)I)C(O)=O)I)=O
InChI 1S/C28H28I6N4O8/c1-35-25(41)13-17(29)15(27(43)44)21(33)23(19(13)31)37-11(39)9-7-5-3-4-6-8-10-12(40)38-24-20(32)14(26(42)36-2)18(30)16(22(24)34)28(45)46/h3-10H2,1-2H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40)(H,43,44)(H,45,46)
InChIKey RXUVYYAWLAIABB-UHFFFAOYSA-N
Properties
Density 2.366g/cm3 (Cal.)
Boiling point 891.649°C at 760 mmHg (Cal.)
Flash point 493.052°C (Cal.)
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