compound 0094710

Properties Image MNX_ID MNXM1182253 reference envipathM:...b56a09f7ff97 formula C12H11Cl3O5 global charge 0 mol weight 341.574 InChIKey HHQMGOPZFPINLJ-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl3O5/c13-4-2-10(15)7-3-1-11(18,20-9(17)6(3)16)12(7,19)5(4)8(10)14/h2-3,5-8,16,18-19H,1H2 SMILES O=C1OC2(O)CC(C1O)C1C3(Cl)C=C(Cl)C(C3Cl)C12O MNX internals InChI (mnx) InChI=1/C12H11Cl3O5/c13-4-2-10(15)7-3-1-11(18,20-9(17)6(3)16)12(7,19)5(4)8(10)14/h2-3,5-8,16,18-19H,1H2/t3?,5?,6?,7?,8?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]2[CH:6]([OH:16])[C:9](=[O:17])[O:20][C:11]1([OH:18])[C:12]1([OH:19])[CH:5]3[C:4]([Cl:13])=[CH:2][C:10]([Cl:15])([CH:7]21)[CH:8]3[Cl:14]

Parent-child relations graph

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