compound 0060384

Properties Image MNX_ID MNXM1178903 reference envipathM:...e7f50aaabb70 formula C9H16O7PS2 global charge -1 mol weight 331.328 InChIKey RWCFOOOVZOLUEW-UHFFFAOYSA-M InChI InChI=1S/C9H17O7PS2/c1-3-15-9(12)7(19-17(13,18)14-2)6-8(11)16-5-4-10/h7,10H,3-6H2,1-2H3,(H,13,18)/p-1 SMILES CCOC(=O)C(CC(=O)OCCO)SP([O-])(=S)OC MNX internals InChI (mnx) InChI=1/C9H17O7PS2/c1-3-15-9(12)7(19-17(13,18)14-2)6-8(11)16-5-4-10/h7,10H,3-6H2,1-2H3,(H,13,18)/t7?,17? SMILES (mnx) [CH3:1][CH2:3][O:15][C:9]([CH:7]([CH2:6][C:8](=[O:11])[O:16][CH2:5][CH2:4][OH:10])[S:19][P:17]([OH:13])([O:14][CH3:2])=[S:18])=[O:12]

Parent-child relations graph

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