compound 0096839

Properties Image MNX_ID MNXM1190432 reference envipathM:...4e68f9965cbe formula C12H11Cl3O5 global charge 0 mol weight 341.574 InChIKey SSWKYRCVWQKCHD-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl3O5/c13-6-3-1-10(15,8(6)14)12(19)5(3)4-2-11(12,18)20-9(17)7(4)16/h3-5,7,16,18-19H,1-2H2 SMILES O=C1OC2(O)CC(C1O)C1C3CC(Cl)(C(Cl)=C3Cl)C12O MNX internals InChI (mnx) InChI=1/C12H11Cl3O5/c13-6-3-1-10(15,8(6)14)12(19)5(3)4-2-11(12,18)20-9(17)7(4)16/h3-5,7,16,18-19H,1-2H2/t3?,4?,5?,7?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]2[CH:5]3[CH:4]4[CH2:2][C:11]([OH:18])([C:12]3([OH:19])[C:10]1([Cl:15])[C:8]([Cl:14])=[C:6]2[Cl:13])[O:20][C:9](=[O:17])[CH:7]4[OH:16]

Parent-child relations graph

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