paracetamol sulfate

Properties Image MNX_ID MNXM3332 reference chebi:32635 formula C8H9NO5S global charge 0 mol weight 231.229 InChIKey IGTYILLPRJOVFY-UHFFFAOYSA-N InChI InChI=1S/C8H9NO5S/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13) SMILES CC(=O)NC1=CC=C(OS(=O)(=O)O)C=C1 MNX internals InChI (mnx) InChI=1/C8H9NO5S/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13) SMILES (mnx) [CH3:1][C:6](=[N:9][C:7]1=[CH:3][CH:5]=[C:8]([O:14][S:15]([OH:11])(=[O:12])=[O:13])[CH:4]=[CH:2]1)[OH:10]

Parent-child relations graph

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