compound 0280560

Properties Image MNX_ID MNXM1170757 reference envipathM:...97e0bf04f905 formula C11H7F13O3 global charge 0 mol weight 434.148 InChIKey QCMLPBMHDVTPSG-UHFFFAOYSA-N InChI InChI=1S/C11H7F13O3/c12-6(13,1-2-26-5(25)4-3-27-4)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4H,1-3H2 SMILES O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CO1 MNX internals InChI (mnx) InChI=1/C11H7F13O3/c12-6(13,1-2-26-5(25)4-3-27-4)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4H,1-3H2/t4? SMILES (mnx) [CH2:1]([CH2:2][O:26][C:5]([CH:4]1[CH2:3][O:27]1)=[O:25])[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([F:22])([F:23])[F:24])([F:20])[F:21])([F:18])[F:19])([F:16])[F:17])([F:14])[F:15])([F:12])[F:13]

Parent-child relations graph

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