A1L4E
Summary
| Name: | 5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol |
| Formula: | C13 H6 F7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 341.181 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H6F7NO2/c14-8-7(13(18,19)20)9(15)11(17)12(10(8)16)23-6-2-1-4(21)3-5(6)22/h1-3,22H,21H2 |
| InChIKey | InChI | 1.06 | XNVYOMVIMRCYCP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(Oc2c(F)c(F)c(c(F)c2F)C(F)(F)F)c(O)c1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(Oc2c(F)c(F)c(c(F)c2F)C(F)(F)F)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N)O)Oc2c(c(c(c(c2F)F)C(F)(F)F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N)O)Oc2c(c(c(c(c2F)F)C(F)(F)F)F)F |
