compound 0284778

Properties Image MNX_ID MNXM1174062 reference envipathM:...f58a003c87be formula C8H11Br2O4 global charge -1 mol weight 330.98 InChIKey ADMGFNUMGHDGKZ-UHFFFAOYSA-M InChI InChI=1S/C8H12Br2O4/c1-7(3-11)5(6(12)13)8(7,14)2-4(9)10/h4-5,11,14H,2-3H2,1H3,(H,12,13)/p-1 SMILES CC1(CO)C(C(=O)[O-])C1(O)CC(Br)Br MNX internals InChI (mnx) InChI=1/C8H12Br2O4/c1-7(3-11)5(6(12)13)8(7,14)2-4(9)10/h4-5,11,14H,2-3H2,1H3,(H,12,13)/t5?,7?,8? SMILES (mnx) [CH3:1][C:7]1([CH2:3][OH:11])[CH:5]([C:6](=[O:12])[OH:13])[C:8]1([CH2:2][CH:4]([Br:9])[Br:10])[OH:14]

Parent-child relations graph

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