Aluminum clofibrate

Properties Image MNX_ID MNXM41675 reference chebi:31194 formula C20H21AlCl2O7 global charge 0 mol weight 471.269 InChIKey USWVMPGQVYZHCA-UHFFFAOYSA-K InChI InChI=1S/2C10H11ClO3.Al.H2O/c2*1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;;/h2*3-6H,1-2H3,(H,12,13);;1H2/q;;+3;/p-3 SMILES CC(C)(OC1=CC=C(Cl)C=C1)C(=O)O[Al](O)OC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 MNX internals InChI (mnx) InChI=1/2C10H11ClO3.Al.H2O/c2*1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;;/h2*3-6H,1-2H3,(H,12,13);;1H2/q;;+3; SMILES (mnx) [Al+3:29].[CH3:15][C:24]([CH3:16])([C:23](=[O:26])[OH:27])[O:28][C:22]1=[CH:20][CH:18]=[C:21]([Cl:25])[CH:17]=[CH:19]1.[CH3:1][C:10]([CH3:2])([C:9](=[O:12])[OH:13])[O:14][C:8]1=[CH:6][CH:4]=[C:7]([Cl:11])[CH:3]=[CH:5]1.[OH2:30]

Parent-child relations graph

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