compound 0089742

Properties Image MNX_ID MNXM1180136 reference envipathM:...e4f9d4d96bdd formula C12H10Cl6O5 global charge 0 mol weight 446.925 InChIKey POMJOVMHCUJLIU-UHFFFAOYSA-N InChI InChI=1S/C12H10Cl6O5/c13-7-8(14)11(16)9(23)5(10(7,15)12(11,17)18)6(22)4(21)1-3(20)2-19/h4-5,7-8,19,21H,1-2H2 SMILES O=C(CO)CC(O)C(=O)C1C(=O)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H10Cl6O5/c13-7-8(14)11(16)9(23)5(10(7,15)12(11,17)18)6(22)4(21)1-3(20)2-19/h4-5,7-8,19,21H,1-2H2/t4?,5?,7?,8?,10?,11? SMILES (mnx) [CH2:1]([C:3]([CH2:2][OH:19])=[O:20])[CH:4]([C:6]([CH:5]1[C:9](=[O:23])[C:11]2([Cl:16])[CH:8]([Cl:14])[CH:7]([Cl:13])[C:10]1([Cl:15])[C:12]2([Cl:17])[Cl:18])=[O:22])[OH:21]

Parent-child relations graph

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