3',5'-diiodothyroacetate

Properties Image MNX_ID MNXM166036 reference biggM:CE2884 formula C14H9I2O4 global charge -1 mol weight 495.03 InChIKey KOTHYHWAVXIZEJ-UHFFFAOYSA-M InChI InChI=1S/C14H10I2O4/c15-11-6-10(7-12(16)14(11)19)20-9-3-1-8(2-4-9)5-13(17)18/h1-4,6-7,19H,5H2,(H,17,18)/p-1 SMILES O=C([O-])CC1=CC=C(OC2=CC(I)=C(O)C(I)=C2)C=C1 MNX internals InChI (mnx) InChI=1/C14H10I2O4/c15-11-6-10(7-12(16)14(11)19)20-9-3-1-8(2-4-9)5-13(17)18/h1-4,6-7,19H,5H2,(H,17,18) SMILES (mnx) [CH:1]1=[CH:3][C:9]([O:20][C:10]2=[CH:6][C:11]([I:15])=[C:14]([OH:19])[C:12]([I:16])=[CH:7]2)=[CH:4][CH:2]=[C:8]1[CH2:5][C:13](=[O:17])[OH:18]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1