compound 0087128

Properties Image MNX_ID MNXM1170592 reference envipathM:...64b449dcd824 formula C12H9Cl5O5 global charge 0 mol weight 410.464 InChIKey QNLMGFJMULHMST-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O5/c13-4-6(14)11(15)5(9(20)22-8(4)12(11,16)17)10(21)2-1-3(18)7(10)19/h5,7-8,19,21H,1-2H2 SMILES O=C1CCC(O)(C2C(=O)OC3C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C1O MNX internals InChI (mnx) InChI=1/C12H9Cl5O5/c13-4-6(14)11(15)5(9(20)22-8(4)12(11,16)17)10(21)2-1-3(18)7(10)19/h5,7-8,19,21H,1-2H2/t5?,7?,8?,10?,11? SMILES (mnx) [CH2:1]1[CH2:2][C:10]([CH:5]2[C:9](=[O:20])[O:22][CH:8]3[C:4]([Cl:13])=[C:6]([Cl:14])[C:11]2([Cl:15])[C:12]3([Cl:16])[Cl:17])([OH:21])[CH:7]([OH:19])[C:3]1=[O:18]

Parent-child relations graph

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