Xylenesulfonate

Properties Image MNX_ID MNXM1129180 reference chebi:170071 formula C8H9O3S global charge -1 mol weight 185.224 InChIKey ZZXDRXVIRVJQBT-UHFFFAOYSA-M InChI InChI=1S/C8H10O3S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)/p-1 SMILES CC1=CC=CC(S(=O)(=O)[O-])=C1C MNX internals InChI (mnx) InChI=1/C8H10O3S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H,9,10,11) SMILES (mnx) [CH3:1][C:6]1=[C:7]([CH3:2])[C:8]([S:12]([OH:9])(=[O:10])=[O:11])=[CH:5][CH:3]=[CH:4]1

Parent-child relations graph

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