compound 0111212

Properties Image MNX_ID MNXM1193253 reference envipathM:...b4f8d7c01318 formula C9H11ClF3O3 global charge -1 mol weight 259.631 InChIKey TTYALYRSZRAANC-ALCCZGGFSA-M InChI InChI=1S/C9H12ClF3O3/c1-4(2)5(7(14)8(15)16)3-6(10)9(11,12)13/h4,6,14H,3H2,1-2H3,(H,15,16)/p-1/b7-5- SMILES CC(C)/C(CC(Cl)C(F)(F)F)=C(\O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H12ClF3O3/c1-4(2)5(7(14)8(15)16)3-6(10)9(11,12)13/h4,6,14H,3H2,1-2H3,(H,15,16)/b7-5-/t6? SMILES (mnx) [CH3:1][CH:4]([CH3:2])/[C:5]([CH2:3][CH:6]([C:9]([F:11])([F:12])[F:13])[Cl:10])=[C:7](/[C:8](=[O:15])[OH:16])[OH:14]

Parent-child relations graph

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