4-sulfomuconolactone

Properties Image MNX_ID MNXM5374 reference chebi:20479 formula C6H4O7S global charge -2 mol weight 220.158 InChIKey WEEOYKXHMIPYQX-UHFFFAOYSA-L InChI InChI=1S/C6H6O7S/c7-4(8)3-6(14(10,11)12)2-1-5(9)13-6/h1-2H,3H2,(H,7,8)(H,10,11,12)/p-2 SMILES O=C([O-])CC1(S(=O)(=O)[O-])C=CC(=O)O1 MNX internals InChI (mnx) InChI=1/C6H6O7S/c7-4(8)3-6(14(10,11)12)2-1-5(9)13-6/h1-2H,3H2,(H,7,8)(H,10,11,12)/t6? SMILES (mnx) [CH:1]1=[CH:2][C:6]([CH2:3][C:4](=[O:7])[OH:8])([S:14]([OH:10])(=[O:11])=[O:12])[O:13][C:5]1=[O:9]

Parent-child relations graph

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