DJ0
Summary
| Name: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal |
| Formula: | C16 H14 F2 O2 |
| Formal charge: | 0 |
| Formula weight: | 276.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14F2O2/c17-14-9-13(7-4-8-19)16(15(18)10-14)20-11-12-5-2-1-3-6-12/h1-3,5-6,8-10H,4,7,11H2 |
| InChIKey | InChI | 1.03 | SMGWBKIRLMNBMH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(F)c(OCc2ccccc2)c(CCC=O)c1 |
| SMILES | CACTVS | 3.385 | Fc1cc(F)c(OCc2ccccc2)c(CCC=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COc2c(cc(cc2F)F)CCC=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COc2c(cc(cc2F)F)CCC=O |
