(2Z,4E)-4-chloro-2-methylmuconate

Properties Image MNX_ID MNXM6871 reference chebi:231610 formula C7H5ClO4 global charge -2 mol weight 188.566 InChIKey XBKOCRJFTBXJCV-VOERYJCWSA-L InChI InChI=1S/C7H7ClO4/c1-4(7(11)12)2-5(8)3-6(9)10/h2-3H,1H3,(H,9,10)(H,11,12)/p-2/b4-2-,5-3+ SMILES C/C(=C/C(Cl)=C\C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H7ClO4/c1-4(7(11)12)2-5(8)3-6(9)10/h2-3H,1H3,(H,9,10)(H,11,12)/b4-2-,5-3+ SMILES (mnx) [CH3:1]/[C:4](=[CH:2]/[C:5](=[CH:3]\[C:6](=[O:9])[OH:10])[Cl:8])[C:7](=[O:11])[OH:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0