compound 0087159

Properties Image MNX_ID MNXM1190961 reference envipathM:...5683c8f1f927 formula C12H14Cl4O5 global charge 0 mol weight 380.051 InChIKey XBJOWPWTTKKINJ-UHFFFAOYSA-N InChI InChI=1S/C12H14Cl4O5/c13-8-1-2-9(14,12(8,15)16)11(21)7(19)3-4(10(8,11)20)5(17)6(7)18/h4-6,17-21H,1-3H2 SMILES OC1C(O)C2(O)CC1C1(O)C3(Cl)CCC(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H14Cl4O5/c13-8-1-2-9(14,12(8,15)16)11(21)7(19)3-4(10(8,11)20)5(17)6(7)18/h4-6,17-21H,1-3H2/t4?,5?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH2:2][C:9]2([Cl:14])[C:11]3([OH:21])[C:7]4([OH:19])[CH2:3][CH:4]([CH:5]([OH:17])[CH:6]4[OH:18])[C:10]3([OH:20])[C:8]1([Cl:13])[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