compound 0082753

Properties Image MNX_ID MNXM1181944 reference envipathM:...6f95b36a942f formula C12H11Cl3O4 global charge 0 mol weight 325.575 InChIKey CFZCJJFTHXOCGY-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl3O4/c13-4-3-1-10(15,6(4)14)12(18)5(3)9(16)2-11(12,17)8-7(9)19-8/h3,5,7-8,16-18H,1-2H2 SMILES OC12CC(O)(C3OC31)C1(O)C2C2CC1(Cl)C(Cl)=C2Cl MNX internals InChI (mnx) InChI=1/C12H11Cl3O4/c13-4-3-1-10(15,6(4)14)12(18)5(3)9(16)2-11(12,17)8-7(9)19-8/h3,5,7-8,16-18H,1-2H2/t3?,5?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]2[C:4]([Cl:13])=[C:6]([Cl:14])[C:10]1([Cl:15])[C:12]1([OH:18])[CH:5]2[C:9]2([OH:16])[CH2:2][C:11]1([OH:17])[CH:8]1[CH:7]2[O:19]1

Parent-child relations graph

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