compound 0092129

Properties Image MNX_ID MNXM1189583 reference envipathM:...a4f2fc513693 formula C12H11Cl3O5 global charge 0 mol weight 341.574 InChIKey VAQBKBYIHGFCGR-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl3O5/c13-5-6(14)10(18)1-9(5,15)3-4(10)12(20)2-11(3,19)7(16)8(12)17/h3-4,7,16,18-20H,1-2H2 SMILES O=C1C(O)C2(O)CC1(O)C1C2C2(Cl)CC1(O)C(Cl)=C2Cl MNX internals InChI (mnx) InChI=1/C12H11Cl3O5/c13-5-6(14)10(18)1-9(5,15)3-4(10)12(20)2-11(3,19)7(16)8(12)17/h3-4,7,16,18-20H,1-2H2/t3?,4?,7?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[C:9]2([Cl:15])[CH:3]3[CH:4]([C:10]1([OH:18])[C:6]([Cl:14])=[C:5]2[Cl:13])[C:12]1([OH:20])[CH2:2][C:11]3([OH:19])[CH:7]([OH:16])[C:8]1=[O:17]

Parent-child relations graph

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