compound 0085532

Properties Image MNX_ID MNXM1177430 reference envipathM:...822099af0080 formula C12H9Cl5O5 global charge 0 mol weight 410.464 InChIKey WDGKZXYSHZLDFT-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O5/c13-6-5-9(21)10(22,4-2(18)1-3(19)7(4)20)11(15,8(6)14)12(5,16)17/h2,4-5,7,18,20,22H,1H2 SMILES O=C1CC(O)C(C2(O)C(=O)C3C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C1O MNX internals InChI (mnx) InChI=1/C12H9Cl5O5/c13-6-5-9(21)10(22,4-2(18)1-3(19)7(4)20)11(15,8(6)14)12(5,16)17/h2,4-5,7,18,20,22H,1H2/t2?,4?,5?,7?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]([OH:18])[CH:4]([C:10]2([OH:22])[C:9](=[O:21])[CH:5]3[C:6]([Cl:13])=[C:8]([Cl:14])[C:11]2([Cl:15])[C:12]3([Cl:16])[Cl:17])[CH:7]([OH:20])[C:3]1=[O:19]

Parent-child relations graph

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