compound 0091000

Properties Image MNX_ID MNXM1190188 reference envipathM:...0882f21962f1 formula C12H7Cl5O5 global charge 0 mol weight 408.448 InChIKey HLDGZHNZASPOKU-UHFFFAOYSA-N InChI InChI=1S/C12H7Cl5O5/c13-5-3-4(10(21)1-2-22-9(20)8(10)19)7(18)11(15,6(5)14)12(3,16)17/h3-4,21H,1-2H2 SMILES O=C1OCCC(O)(C2C(=O)C3(Cl)C(Cl)=C(Cl)C2C3(Cl)Cl)C1=O MNX internals InChI (mnx) InChI=1/C12H7Cl5O5/c13-5-3-4(10(21)1-2-22-9(20)8(10)19)7(18)11(15,6(5)14)12(3,16)17/h3-4,21H,1-2H2/t3?,4?,10?,11? SMILES (mnx) [CH2:1]1[CH2:2][O:22][C:9](=[O:20])[C:8](=[O:19])[C:10]1([CH:4]1[CH:3]2[C:5]([Cl:13])=[C:6]([Cl:14])[C:11]([Cl:15])([C:7]1=[O:18])[C:12]2([Cl:16])[Cl:17])[OH:21]

Parent-child relations graph

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