4-sulfoacetophenone

Properties Image MNX_ID MNXM147837 reference metacycM:CPD-16866 formula C8H7O4S global charge -1 mol weight 199.207 InChIKey ACPXHHDRVABPNY-UHFFFAOYSA-M InChI InChI=1S/C8H8O4S/c1-6(9)7-2-4-8(5-3-7)13(10,11)12/h2-5H,1H3,(H,10,11,12)/p-1 SMILES CC(=O)C1=CC=C(S(=O)(=O)[O-])C=C1 MNX internals InChI (mnx) InChI=1/C8H8O4S/c1-6(9)7-2-4-8(5-3-7)13(10,11)12/h2-5H,1H3,(H,10,11,12) SMILES (mnx) [CH3:1][C:6]([C:7]1=[CH:3][CH:5]=[C:8]([S:13]([OH:10])(=[O:11])=[O:12])[CH:4]=[CH:2]1)=[O:9]

Parent-child relations graph

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