5-chloromuconolactone(1-)

Properties Image MNX_ID MNXM7907 reference chebi:133250 formula C6H4ClO4 global charge -1 mol weight 175.547 InChIKey KGCZGOVWTWDEQD-UHFFFAOYSA-M InChI InChI=1S/C6H5ClO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)/p-1 SMILES O=C1C=CC(C(Cl)C(=O)[O-])O1 MNX internals InChI (mnx) InChI=1/C6H5ClO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)/t3?,5? SMILES (mnx) [CH:1]1=[CH:2][C:4](=[O:8])[O:11][CH:3]1[CH:5]([C:6](=[O:9])[OH:10])[Cl:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0