A1L7X
Summary
| Name: | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-(trifluoromethyl)phenyl]-dimethyl-silyl]-2-(trifluoromethyl)phenoxy]-4-oxidanyl-pentanoic acid |
| Formula: | C27 H34 F6 O6 Si |
| Formal charge: | 0 |
| Formula weight: | 596.631 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-(trifluoromethyl)phenyl]-dimethyl-silyl]-2-(trifluoromethyl)phenoxy]-4-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H34F6O6Si/c1-5-25(37,6-2)16-39-23-11-9-19(14-21(23)27(31,32)33)40(3,4)18-8-10-22(20(13-18)26(28,29)30)38-15-17(34)7-12-24(35)36/h8-11,13-14,17,34,37H,5-7,12,15-16H2,1-4H3,(H,35,36)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | FOBWZYOIZWJMHE-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1C(F)(F)F)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O)=O)c(c2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1C(F)(F)F)[Si](C)(C)c2ccc(OC[CH](O)CCC(O)=O)c(c2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1C(F)(F)F)[Si](C)(C)c2ccc(c(c2)C(F)(F)F)OC[C@H](CCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1C(F)(F)F)[Si](C)(C)c2ccc(c(c2)C(F)(F)F)OCC(CCC(=O)O)O)O |
