compound 0086336

Properties Image MNX_ID MNXM1197064 reference envipathM:...bbc07d5db985 formula C12H12Cl4O5 global charge 0 mol weight 378.035 InChIKey DUXVKYOVYNXDJT-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O5/c13-6-3(17)5-9(19)2-1-8(18,7-4(2)21-7)12(9,20)10(6,14)11(5,15)16/h2-7,17-20H,1H2 SMILES OC1C2C(Cl)(Cl)C(Cl)(C1Cl)C1(O)C3(O)CC(C4OC43)C21O MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-6-3(17)5-9(19)2-1-8(18,7-4(2)21-7)12(9,20)10(6,14)11(5,15)16/h2-7,17-20H,1H2/t2?,3?,4?,5?,6?,7?,8?,9?,10?,12? SMILES (mnx) [CH2:1]1[CH:2]2[CH:4]3[CH:7]([C:8]1([OH:18])[C:12]1([OH:20])[C:9]2([OH:19])[CH:5]2[CH:3]([OH:17])[CH:6]([Cl:13])[C:10]1([Cl:14])[C:11]2([Cl:15])[Cl:16])[O:21]3

Parent-child relations graph

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