3,4-dichlorobenzoate-cis-4,5-diol

Properties Image MNX_ID MNXM9948 reference metacycM:CPD-11225 formula C7H5Cl2O4 global charge -1 mol weight 224.019 InChIKey PJTLPFXCDNXXNB-CAHLUQPWSA-M InChI InChI=1S/C7H6Cl2O4/c8-4-1-3(6(11)12)2-5(10)7(4,9)13/h1-2,5,10,13H,(H,11,12)/p-1/t5-,7+/m0/s1 SMILES O=C([O-])C1=C[C@H](O)[C@@](O)(Cl)C(Cl)=C1 MNX internals InChI (mnx) InChI=1/C7H6Cl2O4/c8-4-1-3(6(11)12)2-5(10)7(4,9)13/h1-2,5,10,13H,(H,11,12)/t5-,7+/m0/s1 SMILES (mnx) [CH:1]1=[C:4]([Cl:8])[C@@:7]([Cl:9])([OH:13])[C@@H:5]([OH:10])[CH:2]=[C:3]1[C:6](=[O:11])[OH:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0