compound 0090335

Properties Image MNX_ID MNXM1171176 reference envipathM:...67a0f9ded031 formula C12H12Cl4O5 global charge 0 mol weight 378.035 InChIKey VWWALIBSTMEPAP-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O5/c13-6-8(19)11(21)3-2-1-9(20,7(18)4(2)17)5(3)10(6,14)12(11,15)16/h2-3,5-8,18-21H,1H2 SMILES O=C1C2CC(O)(C1O)C1C2C2(O)C(O)C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-6-8(19)11(21)3-2-1-9(20,7(18)4(2)17)5(3)10(6,14)12(11,15)16/h2-3,5-8,18-21H,1H2/t2?,3?,5?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:3]3[CH:5]([C:9]1([OH:20])[CH:7]([OH:18])[C:4]2=[O:17])[C:10]1([Cl:14])[CH:6]([Cl:13])[CH:8]([OH:19])[C:11]3([OH:21])[C:12]1([Cl:15])[Cl:16]

Parent-child relations graph

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