compound 0081493

Properties Image MNX_ID MNXM1196677 reference envipathM:...f223e6bb79ee formula C12H13Cl3O2 global charge 0 mol weight 295.593 InChIKey LKFWWLMBISYWOE-UHFFFAOYSA-N InChI InChI=1S/C12H13Cl3O2/c13-6-2-5-7-3-1-4(11(17)10(3)16)8(7)9(6)12(5,14)15/h2-5,7-11,16-17H,1H2 SMILES OC1C(O)C2CC1C1C2C2C(Cl)=CC1C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H13Cl3O2/c13-6-2-5-7-3-1-4(11(17)10(3)16)8(7)9(6)12(5,14)15/h2-5,7-11,16-17H,1H2/t3?,4?,5?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:7]3[CH:5]4[CH:2]=[C:6]([Cl:13])[CH:9]([CH:8]3[CH:4]1[CH:11]([OH:17])[CH:10]2[OH:16])[C:12]4([Cl:14])[Cl:15]

Parent-child relations graph

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