compound 0093199

Properties Image MNX_ID MNXM1187490 reference envipathM:...fbcad30aa085 formula C12H9Cl5O7 global charge 0 mol weight 442.462 InChIKey OBTSXFLAGYGMAM-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O7/c13-3-4(14)10(22)9(21)2-1-7(20,6(19)24-5(2)18)11(9,23)8(3,15)12(10,16)17/h2,6,19-23H,1H2 SMILES O=C1OC(O)C2(O)CC1C1(O)C3(O)C(Cl)=C(Cl)C(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H9Cl5O7/c13-3-4(14)10(22)9(21)2-1-7(20,6(19)24-5(2)18)11(9,23)8(3,15)12(10,16)17/h2,6,19-23H,1H2/t2?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[C:5](=[O:18])[O:24][CH:6]([OH:19])[C:7]1([OH:20])[C:11]1([OH:23])[C:8]3([Cl:15])[C:3]([Cl:13])=[C:4]([Cl:14])[C:10]([OH:22])([C:9]21[OH:21])[C:12]3([Cl:16])[Cl:17]

Parent-child relations graph

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