Metrizamide(31112-62-6) 13C NMR
Product NameMetrizamide
CAS31112-62-6
Molecular FormulaC18H22I3N3O8
Molecular Weight789.1
InChIInChI=1/C18H22I3N3O8/c1-6(27)22-14-11(19)10(12(20)15(13(14)21)24(3)7(2)28)18(32)23-8(4-25)16(30)17(31)9(29)5-26/h4,8-9,16-17,26,29-31H,5H2,1-3H3,(H,22,27)(H,23,32)/t8-,9+,16+,17+/s3
InChIKey DTZMSDADRKLCQE-RKJMWQAPNA-N
SmilesO=C[C@H](NC(=O)C1=C(I)C(N(C(C)=O)C)=C(I)C(NC(C)=O)=C1I)[C@H]([C@@H]([C@@H](CO)O)O)O |&1:2,24,25,26,r|
