compound 0094656

Properties Image MNX_ID MNXM1179528 reference envipathM:...7ef2efb12314 formula C12H12Cl4O5 global charge 0 mol weight 378.035 InChIKey RXUFGQMCIZZPQN-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O5/c13-8-2-5(17)9(14,12(8,15)16)11(21)4-1-3(10(8,11)20)6(18)7(4)19/h3-5,7,17,19-21H,1-2H2 SMILES O=C1C(O)C2CC1C1(O)C3(Cl)CC(O)C(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-8-2-5(17)9(14,12(8,15)16)11(21)4-1-3(10(8,11)20)6(18)7(4)19/h3-5,7,17,19-21H,1-2H2/t3?,4?,5?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[C:6](=[O:18])[CH:7]([OH:19])[CH:4]1[C:11]1([OH:21])[C:9]3([Cl:14])[CH:5]([OH:17])[CH2:2][C:8]([Cl:13])([C:10]21[OH:20])[C:12]3([Cl:15])[Cl:16]

Parent-child relations graph

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