7ES
Summary
| Name: | 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol) |
| Formula: | C16 H10 F2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 304.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol) |
| OpenEye OEToolkits | 2.0.6 | 3-fluoranyl-4-[2-(2-fluoranyl-4-oxidanyl-phenyl)thiophen-3-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1cc(F)c(cc1)c3c(c2ccc(cc2F)O)ccs3 |
| InChI | InChI | 1.03 | InChI=1S/C16H10F2O2S/c17-14-7-9(19)1-3-11(14)12-5-6-21-16(12)13-4-2-10(20)8-15(13)18/h1-8,19-20H |
| InChIKey | InChI | 1.03 | KKTKAMKVBQSPOV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(F)c1)c2sccc2c3ccc(O)cc3F |
| SMILES | CACTVS | 3.385 | Oc1ccc(c(F)c1)c2sccc2c3ccc(O)cc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1O)F)c2ccsc2c3ccc(cc3F)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1O)F)c2ccsc2c3ccc(cc3F)O |
