compound 0093967

Properties Image MNX_ID MNXM1184150 reference envipathM:...1413d7bd69ec formula C12H10Cl3O4 global charge -1 mol weight 324.567 InChIKey UOXGIHJDKMWFBJ-UHFFFAOYSA-M InChI InChI=1S/C12H11Cl3O4/c13-7-5-2-11(15,9(7)14)8-6(5)4(3-16)1-12(8,19)10(17)18/h3-6,8,19H,1-2H2,(H,17,18)/p-1 SMILES O=CC1CC(O)(C(=O)[O-])C2C1C1CC2(Cl)C(Cl)=C1Cl MNX internals InChI (mnx) InChI=1/C12H11Cl3O4/c13-7-5-2-11(15,9(7)14)8-6(5)4(3-16)1-12(8,19)10(17)18/h3-6,8,19H,1-2H2,(H,17,18)/t4?,5?,6?,8?,11?,12? SMILES (mnx) [CH2:1]1[CH:4]([CH:3]=[O:16])[CH:6]2[CH:5]3[CH2:2][C:11]([Cl:15])([CH:8]2[C:12]1([C:10](=[O:17])[OH:18])[OH:19])[C:9]([Cl:14])=[C:7]3[Cl:13]

Parent-child relations graph

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