compound 0095569

Properties Image MNX_ID MNXM1185883 reference envipathM:...0b4206c0dc40 formula C12H10Cl5O6 global charge -1 mol weight 427.471 InChIKey VAXFQQBMOUZCTF-UHFFFAOYSA-M InChI InChI=1S/C12H11Cl5O6/c13-6-3-9(14,22)12(16,17)11(6,15)10(23,8(20)21)4-1-2-5(18)7(4)19/h3-4,7,19,22-23H,1-2H2,(H,20,21)/p-1 SMILES O=C1CCC(C(O)(C(=O)[O-])C2(Cl)C(Cl)=CC(O)(Cl)C2(Cl)Cl)C1O MNX internals InChI (mnx) InChI=1/C12H11Cl5O6/c13-6-3-9(14,22)12(16,17)11(6,15)10(23,8(20)21)4-1-2-5(18)7(4)19/h3-4,7,19,22-23H,1-2H2,(H,20,21)/t4?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH2:2][C:5](=[O:18])[CH:7]([OH:19])[CH:4]1[C:10]([C:8](=[O:20])[OH:21])([C:11]1([Cl:15])[C:6]([Cl:13])=[CH:3][C:9]([Cl:14])([OH:22])[C:12]1([Cl:16])[Cl:17])[OH:23]

Parent-child relations graph

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