compound 0081283

Properties Image MNX_ID MNXM1137896 reference envipathM:...9fadd487c62f formula C12H9Cl5O3 global charge 0 mol weight 378.466 InChIKey SVJJEZKLLIVJNU-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O3/c13-8-9(14)11(20)5-3-1-2(6(18)7(3)19)4(5)10(8,15)12(11,16)17/h2-6,18,20H,1H2 SMILES O=C1C(O)C2CC1C1C2C2(Cl)C(Cl)=C(Cl)C1(O)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O3/c13-8-9(14)11(20)5-3-1-2(6(18)7(3)19)4(5)10(8,15)12(11,16)17/h2-6,18,20H,1H2/t2?,3?,4?,5?,6?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:4]3[CH:5]([CH:3]1[C:7](=[O:19])[CH:6]2[OH:18])[C:11]1([OH:20])[C:9]([Cl:14])=[C:8]([Cl:13])[C:10]3([Cl:15])[C:12]1([Cl:16])[Cl:17]

Parent-child relations graph

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