compound 0093768

Properties Image MNX_ID MNXM1171491 reference envipathM:...8a45a6584b83 formula C12H9Cl3O4 global charge 0 mol weight 323.559 InChIKey VZMKQZPJCQZJTG-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl3O4/c13-5-2-11(15)7-4-1-3(8(16)9(17)19-4)6(7)12(5,18)10(11)14/h2-4,6-7,10,18H,1H2 SMILES O=C1OC2CC(C1=O)C1C2C2(Cl)C=C(Cl)C1(O)C2Cl MNX internals InChI (mnx) InChI=1/C12H9Cl3O4/c13-5-2-11(15)7-4-1-3(8(16)9(17)19-4)6(7)12(5,18)10(11)14/h2-4,6-7,10,18H,1H2/t3?,4?,6?,7?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]2[CH:6]3[CH:7]([CH:4]1[O:19][C:9](=[O:17])[C:8]2=[O:16])[C:11]1([Cl:15])[CH:2]=[C:5]([Cl:13])[C:12]3([OH:18])[CH:10]1[Cl:14]

Parent-child relations graph

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