A1L7Y
Summary
| Name: | (4~{S})-5-[2-chloranyl-4-[[3-chloranyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid |
| Formula: | C25 H34 Cl2 O6 Si |
| Formal charge: | 0 |
| Formula weight: | 529.525 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-5-[2-chloranyl-4-[[3-chloranyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H34Cl2O6Si/c1-5-25(31,6-2)16-33-23-11-9-19(14-21(23)27)34(3,4)18-8-10-22(20(26)13-18)32-15-17(28)7-12-24(29)30/h8-11,13-14,17,28,31H,5-7,12,15-16H2,1-4H3,(H,29,30)/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | WUCFPULJDHVZFU-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1Cl)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O)=O)c(Cl)c2 |
| SMILES | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1Cl)[Si](C)(C)c2ccc(OC[CH](O)CCC(O)=O)c(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1Cl)[Si](C)(C)c2ccc(c(c2)Cl)OC[C@H](CCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1Cl)[Si](C)(C)c2ccc(c(c2)Cl)OCC(CCC(=O)O)O)O |
