compound 0085112

Properties Image MNX_ID MNXM1178891 reference envipathM:...2065506d2cb2 formula C12H9Cl5O5 global charge 0 mol weight 410.464 InChIKey CUPWYMWQVUWVDT-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O5/c13-6-7(14)11(21)5(3-1-2-4(18)22-9(3)20)8(19)10(6,15)12(11,16)17/h3,5,9,20-21H,1-2H2 SMILES O=C1CCC(C2C(=O)C3(Cl)C(Cl)=C(Cl)C2(O)C3(Cl)Cl)C(O)O1 MNX internals InChI (mnx) InChI=1/C12H9Cl5O5/c13-6-7(14)11(21)5(3-1-2-4(18)22-9(3)20)8(19)10(6,15)12(11,16)17/h3,5,9,20-21H,1-2H2/t3?,5?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH2:2][C:4](=[O:18])[O:22][CH:9]([OH:20])[CH:3]1[CH:5]1[C:8](=[O:19])[C:10]2([Cl:15])[C:6]([Cl:13])=[C:7]([Cl:14])[C:11]1([OH:21])[C:12]2([Cl:16])[Cl:17]

Parent-child relations graph

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