compound 0094006

Properties Image MNX_ID MNXM1186241 reference envipathM:...f7a8de5c313c formula C12H12Cl5O5 global charge -1 mol weight 413.488 InChIKey WYPOLEGXYPLUEI-UHFFFAOYSA-M InChI InChI=1S/C12H13Cl5O5/c13-5-3-10(14)7(4(9(21)22)1-2-6(18)19)8(20)11(5,15)12(10,16)17/h4-5,7,9,21-22H,1-3H2,(H,18,19)/p-1 SMILES O=C([O-])CCC(C(O)O)C1C(=O)C2(Cl)C(Cl)CC1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H13Cl5O5/c13-5-3-10(14)7(4(9(21)22)1-2-6(18)19)8(20)11(5,15)12(10,16)17/h4-5,7,9,21-22H,1-3H2,(H,18,19)/t4?,5?,7?,10?,11? SMILES (mnx) [CH2:1]([CH2:2][C:6](=[O:18])[OH:19])[CH:4]([CH:7]1[C:8](=[O:20])[C:11]2([Cl:15])[CH:5]([Cl:13])[CH2:3][C:10]1([Cl:14])[C:12]2([Cl:16])[Cl:17])[CH:9]([OH:21])[OH:22]

Parent-child relations graph

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