compound 0084416

Properties Image MNX_ID MNXM1182782 reference envipathM:...f73f07919ed6 formula C12H7Cl5O5 global charge 0 mol weight 408.448 InChIKey QVDYUBOWCIZGOS-UHFFFAOYSA-N InChI InChI=1S/C12H7Cl5O5/c13-2-3(14)11(17)7(15)10(2,16)6-8(20)1-9(21,12(6,11)22)5(19)4(8)18/h6-7,20-22H,1H2 SMILES O=C1C(=O)C2(O)CC1(O)C1C3(Cl)C(Cl)=C(Cl)C(Cl)(C3Cl)C12O MNX internals InChI (mnx) InChI=1/C12H7Cl5O5/c13-2-3(14)11(17)7(15)10(2,16)6-8(20)1-9(21,12(6,11)22)5(19)4(8)18/h6-7,20-22H,1H2/t6?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[C:8]2([OH:20])[C:4](=[O:18])[C:5](=[O:19])[C:9]1([OH:21])[C:12]1([OH:22])[CH:6]2[C:10]2([Cl:16])[C:2]([Cl:13])=[C:3]([Cl:14])[C:11]1([Cl:17])[CH:7]2[Cl:15]

Parent-child relations graph

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