Iophendylate

Properties Image MNX_ID MNXM126742 reference chebi:169727 formula C19H29IO2 global charge 0 mol weight 416.343 InChIKey IWRUDYQZPTVTPA-UHFFFAOYSA-N InChI InChI=1S/C19H29IO2/c1-3-22-19(21)15-9-7-5-4-6-8-12-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,16H,3-9,12,15H2,1-2H3 SMILES CCOC(=O)CCCCCCCCC(C)C1=C(I)C=CC=C1 MNX internals InChI (mnx) InChI=1/C19H29IO2/c1-3-22-19(21)15-9-7-5-4-6-8-12-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,16H,3-9,12,15H2,1-2H3/t16? SMILES (mnx) [CH3:1][CH2:3][O:22][C:19]([CH2:15][CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:12][CH:16]([CH3:2])[C:17]1=[CH:13][CH:10]=[CH:11][CH:14]=[C:18]1[I:20])=[O:21]

Parent-child relations graph

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