compound 0094205

Properties Image MNX_ID MNXM1176029 reference envipathM:...641e62306739 formula C12H12Cl2O4 global charge 0 mol weight 291.13 InChIKey QCHYYYLJAKCCMV-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl2O4/c13-4-2-12(17)8-5-1-3(9(15)11(16)18-5)6(8)7(4)10(12)14/h2-3,5-10,15,17H,1H2 SMILES O=C1OC2CC(C1O)C1C3C(Cl)=CC(O)(C3Cl)C21 MNX internals InChI (mnx) InChI=1/C12H12Cl2O4/c13-4-2-12(17)8-5-1-3(9(15)11(16)18-5)6(8)7(4)10(12)14/h2-3,5-10,15,17H,1H2/t3?,5?,6?,7?,8?,9?,10?,12? SMILES (mnx) [CH2:1]1[CH:3]2[CH:6]3[CH:7]4[C:4]([Cl:13])=[CH:2][C:12]([OH:17])([CH:8]3[CH:5]1[O:18][C:11](=[O:16])[CH:9]2[OH:15])[CH:10]4[Cl:14]

Parent-child relations graph

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