compound 0081434

Properties Image MNX_ID MNXM1176809 reference envipathM:...9dd674e53322 formula C12H9Cl5O3 global charge 0 mol weight 378.466 InChIKey DMTOMRJDLBKPGN-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O3/c13-5-2-10(14)6-3-1-4(20-9(19)8(3)18)7(6)11(5,15)12(10,16)17/h2-4,6-8,18H,1H2 SMILES O=C1OC2CC(C1O)C1C2C2(Cl)C(Cl)=CC1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O3/c13-5-2-10(14)6-3-1-4(20-9(19)8(3)18)7(6)11(5,15)12(10,16)17/h2-4,6-8,18H,1H2/t3?,4?,6?,7?,8?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:6]3[CH:7]([CH:4]1[O:20][C:9](=[O:19])[CH:8]2[OH:18])[C:11]1([Cl:15])[C:5]([Cl:13])=[CH:2][C:10]3([Cl:14])[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