compound 0094045

Properties Image MNX_ID MNXM1172031 reference envipathM:...6b58b8bb48ce formula C12H11Cl3O4 global charge 0 mol weight 325.575 InChIKey LDWLCCGQPKQMBT-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl3O4/c13-8-5-3-12(15,10(8)14)7(9(5)17)4-1-2-6(16)19-11(4)18/h4-5,7,11,18H,1-3H2 SMILES O=C1CCC(C2C(=O)C3CC2(Cl)C(Cl)=C3Cl)C(O)O1 MNX internals InChI (mnx) InChI=1/C12H11Cl3O4/c13-8-5-3-12(15,10(8)14)7(9(5)17)4-1-2-6(16)19-11(4)18/h4-5,7,11,18H,1-3H2/t4?,5?,7?,11?,12? SMILES (mnx) [CH2:1]1[CH2:2][C:6](=[O:16])[O:19][CH:11]([OH:18])[CH:4]1[CH:7]1[C:9](=[O:17])[CH:5]2[CH2:3][C:12]1([Cl:15])[C:10]([Cl:14])=[C:8]2[Cl:13]

Parent-child relations graph

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