compound 0048794

Properties Image MNX_ID MNXM1180969 reference envipathM:...cd4305e1c284 formula C9H10BrCl3NO4PS global charge 0 mol weight 445.486 InChIKey ZONUSDFAVQMDTK-UHFFFAOYSA-N InChI InChI=1S/C9H10BrCl3NO4PS/c1-2-16-19(20,17-4-3-15)18-9-7(12)5(10)6(11)8(13)14-9/h15H,2-4H2,1H3 SMILES CCOP(=S)(OCCO)OC1=NC(Cl)=C(Cl)C(Br)=C1Cl MNX internals InChI (mnx) InChI=1/C9H10BrCl3NO4PS/c1-2-16-19(20,17-4-3-15)18-9-7(12)5(10)6(11)8(13)14-9/h15H,2-4H2,1H3/t19? SMILES (mnx) [CH3:1][CH2:2][O:16][P:19]([O:17][CH2:4][CH2:3][OH:15])([O:18][C:9]1=[C:7]([Cl:12])[C:5]([Br:10])=[C:6]([Cl:11])[C:8]([Cl:13])=[N:14]1)=[S:20]

Parent-child relations graph

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