compound 0097624

Properties Image MNX_ID MNXM1184245 reference envipathM:...b09ef6ff9513 formula C12H9Cl6O7 global charge -1 mol weight 477.915 InChIKey UEWFOOIRCJTCJN-UHFFFAOYSA-M InChI InChI=1S/C12H10Cl6O7/c13-5-6(14)11(16)7(22)4(10(5,15)12(11,17)18)9(25,8(23)24)2(19)1-3(20)21/h2,4,8,19,23-25H,1H2,(H,20,21)/p-1 SMILES O=C([O-])CC(O)C(O)(C(O)O)C1C(=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H10Cl6O7/c13-5-6(14)11(16)7(22)4(10(5,15)12(11,17)18)9(25,8(23)24)2(19)1-3(20)21/h2,4,8,19,23-25H,1H2,(H,20,21)/t2?,4?,9?,10?,11? SMILES (mnx) [CH2:1]([CH:2]([C:9]([CH:4]1[C:7](=[O:22])[C:11]2([Cl:16])[C:6]([Cl:14])=[C:5]([Cl:13])[C:10]1([Cl:15])[C:12]2([Cl:17])[Cl:18])([CH:8]([OH:23])[OH:24])[OH:25])[OH:19])[C:3](=[O:20])[OH:21]

Parent-child relations graph

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