compound 0110997

Properties Image MNX_ID MNXM1188295 reference envipathM:...794776520dae formula C9H11ClF3O3 global charge -1 mol weight 259.631 InChIKey ZSXIUHYNKSCMIZ-ZZXKWVIFSA-M InChI InChI=1S/C9H12ClF3O3/c1-5(4-14)6(3-8(15)16)2-7(10)9(11,12)13/h3,5,7,14H,2,4H2,1H3,(H,15,16)/p-1/b6-3+ SMILES CC(CO)/C(=C/C(=O)[O-])CC(Cl)C(F)(F)F MNX internals InChI (mnx) InChI=1/C9H12ClF3O3/c1-5(4-14)6(3-8(15)16)2-7(10)9(11,12)13/h3,5,7,14H,2,4H2,1H3,(H,15,16)/b6-3+/t5?,7? SMILES (mnx) [CH3:1][CH:5]([CH2:4][OH:14])/[C:6]([CH2:2][CH:7]([C:9]([F:11])([F:12])[F:13])[Cl:10])=[CH:3]/[C:8](=[O:15])[OH:16]

Parent-child relations graph

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