compound 0086449

Properties Image MNX_ID MNXM1197063 reference envipathM:...207ba9dcf3c6 formula C12H12Cl2O2 global charge 0 mol weight 259.132 InChIKey KNVZBBDSDHPRFS-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl2O2/c13-11-7-5(15)2-12(11,14)8-4-1-3(6(7)8)9-10(4)16-9/h3-4,6-11H,1-2H2 SMILES O=C1CC2(Cl)C(Cl)C1C1C3CC(C4OC34)C12 MNX internals InChI (mnx) InChI=1/C12H12Cl2O2/c13-11-7-5(15)2-12(11,14)8-4-1-3(6(7)8)9-10(4)16-9/h3-4,6-11H,1-2H2/t3?,4?,6?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]2[CH:6]3[CH:7]4[C:5](=[O:15])[CH2:2][C:12]([Cl:14])([CH:8]3[CH:4]1[CH:10]1[CH:9]2[O:16]1)[CH:11]4[Cl:13]

Parent-child relations graph

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