compound 0094163

Properties Image MNX_ID MNXM1192066 reference envipathM:...26d6a0ac8719 formula C12H11Cl3O5 global charge 0 mol weight 341.574 InChIKey YALZHRNYJDGOOX-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl3O5/c13-10-2-1-4(12(10,14)15)5-8(18)3-9(19,11(5,10)20)7(17)6(8)16/h1-2,4-5,7,17-20H,3H2 SMILES O=C1C(O)C2(O)CC1(O)C1C3C=CC(Cl)(C3(Cl)Cl)C12O MNX internals InChI (mnx) InChI=1/C12H11Cl3O5/c13-10-2-1-4(12(10,14)15)5-8(18)3-9(19,11(5,10)20)7(17)6(8)16/h1-2,4-5,7,17-20H,3H2/t4?,5?,7?,8?,9?,10?,11? SMILES (mnx) [CH:1]1=[CH:2][C:10]2([Cl:13])[C:11]3([OH:20])[CH:5]([CH:4]1[C:12]2([Cl:14])[Cl:15])[C:8]1([OH:18])[CH2:3][C:9]3([OH:19])[CH:7]([OH:17])[C:6]1=[O:16]

Parent-child relations graph

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