compound 0084579

Properties Image MNX_ID MNXM1182214 reference envipathM:...556953fd5702 formula C12H12Cl4O5 global charge 0 mol weight 378.035 InChIKey ZOHPSUCOSKRWCI-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O5/c13-4-2-8(14)9(18)3-1-7(17,6-5(3)21-6)11(9,20)10(4,19)12(8,15)16/h3-6,17-20H,1-2H2 SMILES OC12CC(C3OC31)C1(O)C3(Cl)CC(Cl)C(O)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-4-2-8(14)9(18)3-1-7(17,6-5(3)21-6)11(9,20)10(4,19)12(8,15)16/h3-6,17-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:5]3[CH:6]([C:7]1([OH:17])[C:11]1([OH:20])[C:9]2([OH:18])[C:8]2([Cl:14])[CH2:2][CH:4]([Cl:13])[C:10]1([OH:19])[C:12]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