**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

compound 0209670

Properties Image MNX_ID MNXM1364911 reference envipathM:...9d9039364a76 formula C21H21ClF3O4 global charge -1 mol weight 429.842 InChIKey WYEWFDCKWBHKMA-UHFFFAOYSA-M InChI InChI=1S/C21H22ClF3O4/c1-11(8-17(26)27)14-7-5-6-13(12(14)2)10-29-19(28)18-15(20(18,3)4)9-16(22)21(23,24)25/h5-7,9,15,18H,1,8,10H2,2-4H3,(H,26,27)/p-1 SMILES C=C(CC(=O)[O-])c1cccc(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c1C MNX internals InChI (mnx) InChI=1/C21H22ClF3O4/c1-11(8-17(26)27)14-7-5-6-13(12(14)2)10-29-19(28)18-15(20(18,3)4)9-16(22)21(23,24)25/h5-7,9,15,18H,1,8,10H2,2-4H3,(H,26,27)/b16-9?/t15?,18? SMILES (mnx) [CH2:1]=[C:2]([CH2:3][C:4](=[CH2:5])[CH3:6])[c:7]1[c:8]([CH3:9])[c:10]([CH2:14][CH2:15][C:16](=[CH2:17])[CH:18]2[CH:19]([CH:20]=[C:21]([Cl:22]([F:23])([F:24])[F:25])[OH:26])[O:27]2([OH:28])[OH:29])[cH:11][cH:12][cH:13]1

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
envipath:...9d9039364a76 envipathM:...9d9039364a76 WYEWFDCKWBHKMA-UHFFFAOYSA-M	compound 0209670