compound 0090380

Properties Image MNX_ID MNXM1179542 reference envipathM:...77916f2b9e60 formula C12H7Cl5O5 global charge 0 mol weight 408.448 InChIKey IWZSHLHXGYFBAX-UHFFFAOYSA-N InChI InChI=1S/C12H7Cl5O5/c13-6-7(14)12(17)8(20)4(11(6,16)10(12)15)3-2(18)1-22-9(21)5(3)19/h3-5,10,19H,1H2 SMILES O=C1OCC(=O)C(C2C(=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3Cl)C1O MNX internals InChI (mnx) InChI=1/C12H7Cl5O5/c13-6-7(14)12(17)8(20)4(11(6,16)10(12)15)3-2(18)1-22-9(21)5(3)19/h3-5,10,19H,1H2/t3?,4?,5?,10?,11?,12? SMILES (mnx) [CH2:1]1[C:2](=[O:18])[CH:3]([CH:4]2[C:8](=[O:20])[C:12]3([Cl:17])[C:7]([Cl:14])=[C:6]([Cl:13])[C:11]2([Cl:16])[CH:10]3[Cl:15])[CH:5]([OH:19])[C:9](=[O:21])[O:22]1

Parent-child relations graph

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