3,3',5,5'-tetraiodothyroacetic acid

Properties Image MNX_ID MNXM9147 reference chebi:131194 formula C14H8I4O4 global charge 0 mol weight 747.83 InChIKey PPJYSSNKSXAVDB-UHFFFAOYSA-N InChI InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20) SMILES O=C(O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 MNX internals InChI (mnx) InChI=1/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20) SMILES (mnx) [CH:1]1=[C:6]([CH2:3][C:12](=[O:19])[OH:20])[CH:2]=[C:11]([I:18])[C:14]([O:22][C:7]2=[CH:4][C:8]([I:15])=[C:13]([OH:21])[C:9]([I:16])=[CH:5]2)=[C:10]1[I:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 1