compound 0082748

Properties Image MNX_ID MNXM1185036 reference envipathM:...fe1088d4b53a formula C12H9Cl5O5 global charge 0 mol weight 410.464 InChIKey MFUMLBNIFQHEID-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O5/c13-4-2-8(14)10(21)3-1-7(20,6(19)5(3)18)11(10,22)9(4,15)12(8,16)17/h2-3,5,18,20-22H,1H2 SMILES O=C1C(O)C2CC1(O)C1(O)C3(Cl)C(Cl)=CC(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H9Cl5O5/c13-4-2-8(14)10(21)3-1-7(20,6(19)5(3)18)11(10,22)9(4,15)12(8,16)17/h2-3,5,18,20-22H,1H2/t3?,5?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:5]([OH:18])[C:6](=[O:19])[C:7]1([OH:20])[C:11]1([OH:22])[C:9]3([Cl:15])[C:4]([Cl:13])=[CH:2][C:8]([Cl:14])([C:10]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