compound 0081688

Properties Image MNX_ID MNXM1189807 reference envipathM:...c0bbfc5af1c7 formula C12H7Cl5O3 global charge 0 mol weight 376.45 InChIKey RXLNKSZWSVNXBL-UHFFFAOYSA-N InChI InChI=1S/C12H7Cl5O3/c13-5-4-3-2-1-10(20,9(19)6(2)18)7(3)11(15,8(5)14)12(4,16)17/h2-4,7,20H,1H2 SMILES O=C1C(=O)C2(O)CC1C1C3C(Cl)=C(Cl)C(Cl)(C12)C3(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H7Cl5O3/c13-5-4-3-2-1-10(20,9(19)6(2)18)7(3)11(15,8(5)14)12(4,16)17/h2-4,7,20H,1H2/t2?,3?,4?,7?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:3]3[CH:4]4[C:5]([Cl:13])=[C:8]([Cl:14])[C:11]([Cl:15])([CH:7]3[C:10]1([OH:20])[C:9](=[O:19])[C:6]2=[O:18])[C:12]4([Cl:16])[Cl:17]

Parent-child relations graph

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