compound 0088254

Properties Image MNX_ID MNXM1172480 reference envipathM:...34d217fa09cc formula C12H11Cl4O5 global charge -1 mol weight 377.027 InChIKey RBZVHRQMKDSBTJ-UHFFFAOYSA-M InChI InChI=1S/C12H12Cl4O5/c13-5-2-10(14)6-3(8(17)18)1-4(9(19)20)7(6)11(5,21)12(10,15)16/h2-4,6-8,17-18,21H,1H2,(H,19,20)/p-1 SMILES O=C([O-])C1CC(C(O)O)C2C1C1(O)C(Cl)=CC2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-5-2-10(14)6-3(8(17)18)1-4(9(19)20)7(6)11(5,21)12(10,15)16/h2-4,6-8,17-18,21H,1H2,(H,19,20)/t3?,4?,6?,7?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]([CH:8]([OH:17])[OH:18])[CH:6]2[CH:7]([CH:4]1[C:9](=[O:19])[OH:20])[C:11]1([OH:21])[C:5]([Cl:13])=[CH:2][C:10]2([Cl:14])[C:12]1([Cl:15])[Cl:16]

Parent-child relations graph

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