compound 0089591

Properties Image MNX_ID MNXM1189112 reference envipathM:...05ece1eae6af formula C12H9Cl5O7 global charge 0 mol weight 442.462 InChIKey VUCKASCEIVDXDJ-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O7/c13-2-3(14)9(22)11(24)7(21)1-6(20,4(18)5(7)19)10(11,23)8(2,15)12(9,16)17/h4,18,20-24H,1H2 SMILES O=C1C(O)C2(O)CC1(O)C1(O)C3(O)C(Cl)=C(Cl)C(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H9Cl5O7/c13-2-3(14)9(22)11(24)7(21)1-6(20,4(18)5(7)19)10(11,23)8(2,15)12(9,16)17/h4,18,20-24H,1H2/t4?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[C:6]2([OH:20])[CH:4]([OH:18])[C:5](=[O:19])[C:7]1([OH:21])[C:11]1([OH:24])[C:9]3([OH:22])[C:3]([Cl:14])=[C:2]([Cl:13])[C:8]([Cl:15])([C:10]21[OH:23])[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