(+)-2-chloromuconolactone

Properties Image MNX_ID MNXM13412 reference metacycM:CPD-10639 formula C6H4ClO4 global charge -1 mol weight 175.547 InChIKey ZPMJDSJYHGOBBW-GSVOUGTGSA-M InChI InChI=1S/C6H5ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1,3H,2H2,(H,8,9)/p-1/t3-/m1/s1 SMILES O=C([O-])C[C@H]1C=C(Cl)C(=O)O1 MNX internals InChI (mnx) InChI=1/C6H5ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1,3H,2H2,(H,8,9)/t3-/m1/s1 SMILES (mnx) [CH:1]1=[C:4]([Cl:7])[C:6](=[O:10])[O:11][C@H:3]1[CH2:2][C:5](=[O:8])[OH:9]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0