compound 0090730

Properties Image MNX_ID MNXM1139000 reference envipathM:...e0630d51d26a formula C12H12Cl4O5 global charge 0 mol weight 378.035 InChIKey GBOYVEUKVRNHJM-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O5/c13-5-4-3-2-1-9(20,8(19)6(2)17)11(3,21)10(14,7(5)18)12(4,15)16/h2-7,17-18,20-21H,1H2 SMILES O=C1C(O)C2CC1(O)C1(O)C2C2C(Cl)C(O)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-5-4-3-2-1-9(20,8(19)6(2)17)11(3,21)10(14,7(5)18)12(4,15)16/h2-7,17-18,20-21H,1H2/t2?,3?,4?,5?,6?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:3]3[CH:4]4[CH:5]([Cl:13])[CH:7]([OH:18])[C:10]([Cl:14])([C:11]3([OH:21])[C:9]1([OH:20])[C:8](=[O:19])[CH:6]2[OH:17])[C:12]4([Cl:15])[Cl:16]

Parent-child relations graph

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