3,3',5'-triiodothyroacetate

Properties Image MNX_ID MNXM166074 reference biggM:CE2882 formula C14H8I3O4 global charge -1 mol weight 620.926 InChIKey XLWNVHQIKWRWOE-UHFFFAOYSA-M InChI InChI=1S/C14H9I3O4/c15-9-3-7(4-13(18)19)1-2-12(9)21-8-5-10(16)14(20)11(17)6-8/h1-3,5-6,20H,4H2,(H,18,19)/p-1 SMILES O=C([O-])CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C=C1 MNX internals InChI (mnx) InChI=1/C14H9I3O4/c15-9-3-7(4-13(18)19)1-2-12(9)21-8-5-10(16)14(20)11(17)6-8/h1-3,5-6,20H,4H2,(H,18,19) SMILES (mnx) [CH:1]1=[CH:2][C:12]([O:21][C:8]2=[CH:5][C:10]([I:16])=[C:14]([OH:20])[C:11]([I:17])=[CH:6]2)=[C:9]([I:15])[CH:3]=[C:7]1[CH2:4][C:13](=[O:18])[OH:19]

Parent-child relations graph

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