compound 0090925

Properties Image MNX_ID MNXM1171858 reference envipathM:...01be995a212e formula C12H12Cl4O6 global charge 0 mol weight 394.034 InChIKey YJNVWOXCOOTRDN-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O6/c13-3-1-8(14)10(20)6(17)2-7(18,5-4(6)22-5)11(10,21)9(3,19)12(8,15)16/h3-5,17-21H,1-2H2 SMILES OC12CC(O)(C3OC31)C1(O)C3(O)C(Cl)CC(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H12Cl4O6/c13-3-1-8(14)10(20)6(17)2-7(18,5-4(6)22-5)11(10,21)9(3,19)12(8,15)16/h3-5,17-21H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]([Cl:13])[C:9]2([OH:19])[C:11]3([OH:21])[C:7]4([OH:18])[CH2:2][C:6]([OH:17])([CH:4]5[CH:5]4[O:22]5)[C:10]3([OH:20])[C:8]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