compound 0094416

Properties Image MNX_ID MNXM1193806 reference envipathM:...019ffd8e50f1 formula C12H13Cl3O5 global charge 0 mol weight 343.59 InChIKey QKPSEELOLXHLEM-UHFFFAOYSA-N InChI InChI=1S/C12H13Cl3O5/c13-4-5(14)12(19)3-2(11(4,18)8(12)15)9(16)1-10(3,17)7-6(9)20-7/h2-8,16-19H,1H2 SMILES OC12CC(O)(C3OC31)C1C2C2(O)C(Cl)C(Cl)C1(O)C2Cl MNX internals InChI (mnx) InChI=1/C12H13Cl3O5/c13-4-5(14)12(19)3-2(11(4,18)8(12)15)9(16)1-10(3,17)7-6(9)20-7/h2-8,16-19H,1H2/t2?,3?,4?,5?,6?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[C:9]2([OH:16])[CH:2]3[CH:3]([C:10]1([OH:17])[CH:7]1[CH:6]2[O:20]1)[C:12]1([OH:19])[CH:5]([Cl:14])[CH:4]([Cl:13])[C:11]3([OH:18])[CH:8]1[Cl:15]

Parent-child relations graph

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