compound 0082813

Properties Image MNX_ID MNXM1180821 reference envipathM:...1d18316c8170 formula C12H8Cl4O3 global charge 0 mol weight 342.005 InChIKey FYGRCVVFUUCATG-UHFFFAOYSA-N InChI InChI=1S/C12H8Cl4O3/c13-4-2-11(14)8-5-1-3(9(17)10(18)19-5)6(8)7(4)12(11,15)16/h2-3,5-8H,1H2 SMILES O=C1OC2CC(C1=O)C1C3C(Cl)=CC(Cl)(C21)C3(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H8Cl4O3/c13-4-2-11(14)8-5-1-3(9(17)10(18)19-5)6(8)7(4)12(11,15)16/h2-3,5-8H,1H2/t3?,5?,6?,7?,8?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:6]3[CH:7]4[C:4]([Cl:13])=[CH:2][C:11]([Cl:14])([CH:8]3[CH:5]1[O:19][C:10](=[O:18])[C:9]2=[O:17])[C:12]4([Cl:15])[Cl:16]

Parent-child relations graph

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