SKB
Summary
| Name: | (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one |
| Synonyms: | (~{E})-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| Formula: | C16 H11 F3 O |
| Formal charge: | 0 |
| Formula weight: | 276.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H11F3O/c17-16(18,19)14-8-4-7-13(11-14)15(20)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+ |
| InChIKey | InChI | 1.03 | PBGSCTPDAVCTBJ-MDZDMXLPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)C(=O)/C=C/c2ccccc2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)C(=O)C=Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)/C=C/C(=O)c2cccc(c2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C=CC(=O)c2cccc(c2)C(F)(F)F |
