compound 0092678

Properties Image MNX_ID MNXM1193938 reference envipathM:...c9d7d6c9eafa formula C12H11Cl4O6 global charge -1 mol weight 393.026 InChIKey SKNOHYFARNXQGD-UHFFFAOYSA-M InChI InChI=1S/C12H12Cl4O6/c13-5-2-9(14)11(22)4(8(19)20)1-3(7(17)18)10(11,21)6(5)12(9,15)16/h2-4,6,8,19-22H,1H2,(H,17,18)/p-1 SMILES O=C([O-])C1CC(C(O)O)C2(O)C1(O)C1C(Cl)=CC2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O6/c13-5-2-9(14)11(22)4(8(19)20)1-3(7(17)18)10(11,21)6(5)12(9,15)16/h2-4,6,8,19-22H,1H2,(H,17,18)/t3?,4?,6?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]([C:7](=[O:17])[OH:18])[C:10]2([OH:21])[CH:6]3[C:5]([Cl:13])=[CH:2][C:9]([Cl:14])([C:11]2([OH:22])[CH:4]1[CH:8]([OH:19])[OH:20])[C:12]3([Cl:15])[Cl:16]

Parent-child relations graph

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