compound 0090800

Properties Image MNX_ID MNXM1197407 reference envipathM:...a0f90ac2af88 formula C12H11Cl4O5 global charge -1 mol weight 377.027 InChIKey VXYLIBWAYQPGHX-UHFFFAOYSA-M InChI InChI=1S/C12H12Cl4O5/c13-5-3-11(15)7(8(19)12(5,16)10(11)14)4(9(20)21)1-2-6(17)18/h3-4,7,9-10,20-21H,1-2H2,(H,17,18)/p-1 SMILES O=C([O-])CCC(C(O)O)C1C(=O)C2(Cl)C(Cl)=CC1(Cl)C2Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-5-3-11(15)7(8(19)12(5,16)10(11)14)4(9(20)21)1-2-6(17)18/h3-4,7,9-10,20-21H,1-2H2,(H,17,18)/t4?,7?,10?,11?,12? SMILES (mnx) [CH2:1]([CH2:2][C:6](=[O:17])[OH:18])[CH:4]([CH:7]1[C:8](=[O:19])[C:12]2([Cl:16])[C:5]([Cl:13])=[CH:3][C:11]1([Cl:15])[CH:10]2[Cl:14])[CH:9]([OH:20])[OH:21]

Parent-child relations graph

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