compound 0087893

Properties Image MNX_ID MNXM1197396 reference envipathM:...968618253bf1 formula C12H12Cl2O4 global charge 0 mol weight 291.13 InChIKey AQLAUGVFOGMYKI-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl2O4/c13-5-2-9(14)3-11(5,16)8-10(15)1-4(12(8,9)17)6-7(10)18-6/h2,4,6-8,15-17H,1,3H2 SMILES OC12CC(Cl)(C=C1Cl)C1(O)C3CC(O)(C4OC43)C21 MNX internals InChI (mnx) InChI=1/C12H12Cl2O4/c13-5-2-9(14)3-11(5,16)8-10(15)1-4(12(8,9)17)6-7(10)18-6/h2,4,6-8,15-17H,1,3H2/t4?,6?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:4]2[CH:6]3[CH:7]([C:10]1([OH:15])[CH:8]1[C:11]4([OH:16])[CH2:3][C:9]([Cl:14])([CH:2]=[C:5]4[Cl:13])[C:12]21[OH:17])[O:18]3

Parent-child relations graph

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