compound 0097415

Properties Image MNX_ID MNXM1192441 reference envipathM:...a86337b63856 formula C12H11Cl4O6 global charge -1 mol weight 393.026 InChIKey ZMFBFIUXGRVNAL-UHFFFAOYSA-M InChI InChI=1S/C12H12Cl4O6/c13-4-5(14)11(16)2-9(4,15)7-10(21,8(19)20)1-3(6(17)18)12(7,11)22/h3,7-8,19-22H,1-2H2,(H,17,18)/p-1 SMILES O=C([O-])C1CC(O)(C(O)O)C2C3(Cl)CC(Cl)(C(Cl)=C3Cl)C12O MNX internals InChI (mnx) InChI=1/C12H12Cl4O6/c13-4-5(14)11(16)2-9(4,15)7-10(21,8(19)20)1-3(6(17)18)12(7,11)22/h3,7-8,19-22H,1-2H2,(H,17,18)/t3?,7?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]([C:6](=[O:17])[OH:18])[C:12]2([OH:22])[CH:7]([C:9]3([Cl:15])[CH2:2][C:11]2([Cl:16])[C:5]([Cl:14])=[C:4]3[Cl:13])[C:10]1([CH:8]([OH:19])[OH:20])[OH:21]

Parent-child relations graph

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