compound 0090451

Properties Image MNX_ID MNXM1170175 reference envipathM:...3f4f878fd4d4 formula C12H10Cl4O5 global charge 0 mol weight 376.019 InChIKey AICWRWQEVNKKND-UHFFFAOYSA-N InChI InChI=1S/C12H10Cl4O5/c13-6-1-10(20)8-7(11(6,14)12(10,15)16)4(5(18)2-17)3-21-9(8)19/h1,4,7-8,17,20H,2-3H2 SMILES O=C(CO)C1COC(=O)C2C1C1(Cl)C(Cl)=CC2(O)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H10Cl4O5/c13-6-1-10(20)8-7(11(6,14)12(10,15)16)4(5(18)2-17)3-21-9(8)19/h1,4,7-8,17,20H,2-3H2/t4?,7?,8?,10?,11? SMILES (mnx) [CH:1]1=[C:6]([Cl:13])[C:11]2([Cl:14])[CH:7]3[CH:4]([C:5]([CH2:2][OH:17])=[O:18])[CH2:3][O:21][C:9](=[O:19])[CH:8]3[C:10]1([OH:20])[C:12]2([Cl:15])[Cl:16]

Parent-child relations graph

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