compound 0082233

Properties Image MNX_ID MNXM1139189 reference envipathM:...0c9f59a50d93 formula C12H14Cl4O3 global charge 0 mol weight 348.053 InChIKey FHVPMODVNNSZMT-UHFFFAOYSA-N InChI InChI=1S/C12H14Cl4O3/c13-8-9(19)12(16)5-3-1-2(6(17)7(3)18)4(5)11(8,15)10(12)14/h2-10,17-19H,1H2 SMILES OC1C(O)C2CC1C1C2C2(Cl)C(Cl)C(O)C1(Cl)C2Cl MNX internals InChI (mnx) InChI=1/C12H14Cl4O3/c13-8-9(19)12(16)5-3-1-2(6(17)7(3)18)4(5)11(8,15)10(12)14/h2-10,17-19H,1H2/t2?,3?,4?,5?,6?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:2]2[CH:4]3[CH:5]([CH:3]1[CH:7]([OH:18])[CH:6]2[OH:17])[C:12]1([Cl:16])[CH:9]([OH:19])[CH:8]([Cl:13])[C:11]3([Cl:15])[CH:10]1[Cl:14]

Parent-child relations graph

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