compound 0086444

Properties Image MNX_ID MNXM1187662 reference envipathM:...848115ce2885 formula C12H14Cl4O5 global charge 0 mol weight 380.051 InChIKey CBDPYLQHTCHSMC-UHFFFAOYSA-N InChI InChI=1S/C12H14Cl4O5/c13-4-7-9(20)2-1-3(6(18)5(2)17)11(9,21)10(14,8(4)19)12(7,15)16/h2-8,17-21H,1H2 SMILES OC1C(O)C2CC1C1(O)C3C(Cl)C(O)C(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H14Cl4O5/c13-4-7-9(20)2-1-3(6(18)5(2)17)11(9,21)10(14,8(4)19)12(7,15)16/h2-8,17-21H,1H2/t2?,3?,4?,5?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:5]([OH:17])[CH:6]([OH:18])[CH:3]1[C:11]1([OH:21])[C:9]2([OH:20])[CH:7]2[CH:4]([Cl:13])[CH:8]([OH:19])[C:10]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