Calcium diiodostearate

Properties Image MNX_ID MNXM45223 reference chebi:31339 formula C36H66CaI4O4 global charge 0 mol weight 1110.614 InChIKey KMDFGURWVNEJQG-UHFFFAOYSA-L InChI InChI=1S/2C18H34I2O2.Ca/c2*1-2-3-4-8-11-16(19)14-15-17(20)12-9-6-5-7-10-13-18(21)22;/h2*16-17H,2-15H2,1H3,(H,21,22);/q;;+2/p-2 SMILES CCCCCCC(I)CCC(I)CCCCCCCC(=O)[O-].CCCCCCC(I)CCC(I)CCCCCCCC(=O)[O-].[Ca+2] MNX internals InChI (mnx) InChI=1/2C18H34I2O2.Ca/c2*1-2-3-4-8-11-16(19)14-15-17(20)12-9-6-5-7-10-13-18(21)22;/h2*16-17H,2-15H2,1H3,(H,21,22);/q;;+2/t2*16?,17?; SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:8][CH2:11][CH:16]([CH2:14][CH2:15][CH:17]([CH2:12][CH2:9][CH2:6][CH2:5][CH2:7][CH2:10][CH2:13][C:18](=[O:21])[OH:22])[I:20])[I:19].[CH3:23][CH2:24][CH2:25][CH2:26][CH2:30][CH2:33][CH:38]([CH2:36][CH2:37][CH:39]([CH2:34][CH2:31][CH2:28][CH2:27][CH2:29][CH2:32][CH2:35][C:40](=[O:43])[OH:44])[I:42])[I:41].[Ca+2:45]

Parent-child relations graph

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