compound 0085079

Properties Image MNX_ID MNXM1193801 reference envipathM:...d1f71f4a4dec formula C12H12Cl4O4 global charge 0 mol weight 362.036 InChIKey WKSFOWMSMINNAI-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O4/c13-9-2-5(17)11(14,12(9,15)16)10(20)4-1-3(8(9)10)6(18)7(4)19/h3-5,7-8,17,19-20H,1-2H2 SMILES O=C1C(O)C2CC1C1C3(Cl)CC(O)C(Cl)(C21O)C3(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O4/c13-9-2-5(17)11(14,12(9,15)16)10(20)4-1-3(8(9)10)6(18)7(4)19/h3-5,7-8,17,19-20H,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:10]1([OH:20])[CH:8]2[C:9]2([Cl:13])[CH2:2][CH:5]([OH:17])[C:11]1([Cl:14])[C:12]2([Cl:15])[Cl:16]

Parent-child relations graph

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