HV6
Summary
| Name: | (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one |
| Formula: | C12 H9 F5 O4 |
| Formal charge: | 0 |
| Formula weight: | 312.189 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{Z})-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H9F5O4/c1-21-6-2-3-7(8(18)4-6)9(19)5-10(20)11(13,14)12(15,16)17/h2-5,18,20H,1H3/b10-5- |
| InChIKey | InChI | 1.03 | HJUNXFPAHTVVSW-YHYXMXQVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(c(O)c1)C(=O)\C=C(O)\C(F)(F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | COc1ccc(c(O)c1)C(=O)C=C(O)C(F)(F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(c(c1)O)C(=O)/C=C(/C(C(F)(F)F)(F)F)\O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(c(c1)O)C(=O)C=C(C(C(F)(F)F)(F)F)O |
