compound 0086247

Properties Image MNX_ID MNXM1193387 reference envipathM:...67e90b8f77d6 formula C12H8Cl4O4 global charge -2 mol weight 358.004 InChIKey SWJXTUQUZYJSJI-UHFFFAOYSA-L InChI InChI=1S/C12H10Cl4O4/c13-5-2-11(15)6-3(8(17)18)1-4(9(19)20)7(6)12(5,16)10(11)14/h2-4,6-7,10H,1H2,(H,17,18)(H,19,20)/p-2 SMILES O=C([O-])C1CC(C(=O)[O-])C2C1C1(Cl)C=C(Cl)C2(Cl)C1Cl MNX internals InChI (mnx) InChI=1/C12H10Cl4O4/c13-5-2-11(15)6-3(8(17)18)1-4(9(19)20)7(6)12(5,16)10(11)14/h2-4,6-7,10H,1H2,(H,17,18)(H,19,20)/t3?,4?,6?,7?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]([C:8](=[O:17])[OH:18])[CH:6]2[CH:7]([CH:4]1[C:9](=[O:19])[OH:20])[C:12]1([Cl:16])[C:5]([Cl:13])=[CH:2][C:11]2([Cl:15])[CH:10]1[Cl:14]

Parent-child relations graph

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