Cythioate (BAN)

Properties Image MNX_ID MNXM48315 reference keggD:D07768 formula C8H12NO5PS2 global charge 0 mol weight 297.294 InChIKey BSBSDQUZDZXGFN-UHFFFAOYSA-N InChI InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11) SMILES COP(=S)(OC)OC1=CC=C(S(N)(=O)=O)C=C1 MNX internals InChI (mnx) InChI=1/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11) SMILES (mnx) [CH3:1][O:12][P:15]([O:13][CH3:2])([O:14][C:7]1=[CH:4][CH:6]=[C:8]([S:17]([NH2:9])(=[O:10])=[O:11])[CH:5]=[CH:3]1)=[S:16]

Parent-child relations graph

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