compound 0082646

Properties Image MNX_ID MNXM1190912 reference envipathM:...961a8decc39f formula C12H9Cl5O4 global charge 0 mol weight 394.465 InChIKey NXJBDIBLGMDHPY-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O4/c13-6-2-10(14)8-4(19)1-5(21-7(20)3-18)9(8)11(6,15)12(10,16)17/h2,5,8-9,18H,1,3H2 SMILES O=C(CO)OC1CC(=O)C2C1C1(Cl)C(Cl)=CC2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O4/c13-6-2-10(14)8-4(19)1-5(21-7(20)3-18)9(8)11(6,15)12(10,16)17/h2,5,8-9,18H,1,3H2/t5?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[C:4](=[O:19])[CH:8]2[CH:9]([CH:5]1[O:21][C:7]([CH2:3][OH:18])=[O:20])[C:11]1([Cl:15])[C:6]([Cl:13])=[CH:2][C:10]2([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