compound 0091071

Properties Image MNX_ID MNXM1193414 reference envipathM:...74881824c071 formula C12H15Cl3O5 global charge 0 mol weight 345.606 InChIKey XBQOXNIAPYEDQQ-UHFFFAOYSA-N InChI InChI=1S/C12H15Cl3O5/c13-8-6(17)4-3-2-1-10(19,9(18)5(2)16)7(3)11(8,20)12(4,14)15/h2-9,16-20H,1H2 SMILES OC1C2CC(O)(C1O)C1C2C2C(O)C(Cl)C1(O)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H15Cl3O5/c13-8-6(17)4-3-2-1-10(19,9(18)5(2)16)7(3)11(8,20)12(4,14)15/h2-9,16-20H,1H2/t2?,3?,4?,5?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:3]3[CH:4]4[CH:6]([OH:17])[CH:8]([Cl:13])[C:11]([OH:20])([CH:7]3[C:10]1([OH:19])[CH:9]([OH:18])[CH:5]2[OH:16])[C:12]4([Cl:14])[Cl:15]

Parent-child relations graph

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