4-sulfobenzoate

Properties Image MNX_ID MNXM2088 reference chebi:20476 formula C7H4O5S global charge -2 mol weight 200.171 InChIKey HWAQOZGATRIYQG-UHFFFAOYSA-L InChI InChI=1S/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)/p-2 SMILES O=C([O-])C1=CC=C(S(=O)(=O)[O-])C=C1 MNX internals InChI (mnx) InChI=1/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12) SMILES (mnx) [CH:1]1=[CH:3][C:6]([S:13]([OH:10])(=[O:11])=[O:12])=[CH:4][CH:2]=[C:5]1[C:7]([OH:8])=[O:9]

Parent-child relations graph

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