compound 0064150

Properties Image MNX_ID MNXM1172002 reference envipathM:...93e31904c0d9 formula C12H6Cl2O6S global charge -2 mol weight 349.147 InChIKey YTZLCYFZPFDGKD-NXZHAISVSA-L InChI InChI=1S/C12H8Cl2O6S/c13-7-1-3-8(4-2-7)21(19,20)10(12(17)18)6-5-9(14)11(15)16/h1-6H,(H,15,16)(H,17,18)/p-2/b9-5+,10-6+ SMILES O=C([O-])/C(Cl)=C\C=C(/C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1 MNX internals InChI (mnx) InChI=1/C12H8Cl2O6S/c13-7-1-3-8(4-2-7)21(19,20)10(12(17)18)6-5-9(14)11(15)16/h1-6H,(H,15,16)(H,17,18)/b9-5+,10-6+ SMILES (mnx) [CH:1]1=[CH:3][C:8]([S:21](/[C:10](=[CH:6]/[CH:5]=[C:9](\[C:11](=[O:15])[OH:16])[Cl:14])[C:12](=[O:17])[OH:18])(=[O:19])=[O:20])=[CH:4][CH:2]=[C:7]1[Cl:13]

Parent-child relations graph

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