compound 0097775

Properties Image MNX_ID MNXM1197322 reference envipathM:...3d36de91b95f formula C12H12Cl4O4 global charge 0 mol weight 362.036 InChIKey IFLCBTHKYYNGFD-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O4/c13-6-4-9(20)5(12(16,10(4)14)11(6)15)2-1-3(17)8(19)7(2)18/h2-7,10-11,17-18H,1H2 SMILES O=C1C(O)CC(C2C(=O)C3C(Cl)C(Cl)C2(Cl)C3Cl)C1O MNX internals InChI (mnx) InChI=1/C12H12Cl4O4/c13-6-4-9(20)5(12(16,10(4)14)11(6)15)2-1-3(17)8(19)7(2)18/h2-7,10-11,17-18H,1H2/t2?,3?,4?,5?,6?,7?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:2]([CH:5]2[C:9](=[O:20])[CH:4]3[CH:6]([Cl:13])[CH:11]([Cl:15])[C:12]2([Cl:16])[CH:10]3[Cl:14])[CH:7]([OH:18])[C:8](=[O:19])[CH:3]1[OH:17]

Parent-child relations graph

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