compound 0087959

Properties Image MNX_ID MNXM1178432 reference envipathM:...a4053d63fd39 formula C12H9Cl5O5 global charge 0 mol weight 410.464 InChIKey KVTIOUIJNPYGJA-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O5/c13-5-2-9(14)11(22)7(10(5,15)12(9,16)17)4(19)1-8(11,21)6(20)3-18/h2,7,18,21-22H,1,3H2 SMILES O=C1CC(O)(C(=O)CO)C2(O)C1C1(Cl)C(Cl)=CC2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O5/c13-5-2-9(14)11(22)7(10(5,15)12(9,16)17)4(19)1-8(11,21)6(20)3-18/h2,7,18,21-22H,1,3H2/t7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[C:4](=[O:19])[CH:7]2[C:10]3([Cl:15])[C:5]([Cl:13])=[CH:2][C:9]([Cl:14])([C:11]2([OH:22])[C:8]1([C:6]([CH2:3][OH:18])=[O:20])[OH:21])[C:12]3([Cl:16])[Cl:17]

Parent-child relations graph

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