compound 0088963

Properties Image MNX_ID MNXM1194140 reference envipathM:...5f4bb108d7c6 formula C12H9Cl3O3 global charge 0 mol weight 307.56 InChIKey QOVIPILISDKSDF-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl3O3/c13-6-2-10(14)3-11(6,15)9-4-1-5(12(9,10)18)8(17)7(4)16/h2,4-5,9,18H,1,3H2 SMILES O=C1C(=O)C2CC1C1C3(Cl)CC(Cl)(C=C3Cl)C21O MNX internals InChI (mnx) InChI=1/C12H9Cl3O3/c13-6-2-10(14)3-11(6,15)9-4-1-5(12(9,10)18)8(17)7(4)16/h2,4-5,9,18H,1,3H2/t4?,5?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:4]2[C:7](=[O:16])[C:8](=[O:17])[CH:5]1[C:12]1([OH:18])[CH:9]2[C:11]2([Cl:15])[CH2:3][C:10]1([Cl:14])[CH:2]=[C:6]2[Cl:13]

Parent-child relations graph

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