compound 0085053

Properties Image MNX_ID MNXM1233880 reference envipathM:...d19eed30502c formula C12H10Cl5O6 global charge -1 mol weight 427.471 InChIKey SAMQZNRZWILPEQ-UHFFFAOYSA-M InChI InChI=1S/C12H11Cl5O6/c13-5-4-3-2(6(18)8(19)20)1-9(21,22)11(3,23)10(15,7(5)14)12(4,16)17/h2-4,6,18,21-23H,1H2,(H,19,20)/p-1 SMILES O=C([O-])C(O)C1CC(O)(O)C2(O)C1C1C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H11Cl5O6/c13-5-4-3-2(6(18)8(19)20)1-9(21,22)11(3,23)10(15,7(5)14)12(4,16)17/h2-4,6,18,21-23H,1H2,(H,19,20)/t2?,3?,4?,6?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]([CH:6]([C:8](=[O:19])[OH:20])[OH:18])[CH:3]2[CH:4]3[C:5]([Cl:13])=[C:7]([Cl:14])[C:10]([Cl:15])([C:11]2([OH:23])[C:9]1([OH:21])[OH:22])[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