A1L70
Summary
| Name: | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid |
| Formula: | C25 H36 O6 Si |
| Formal charge: | 0 |
| Formula weight: | 460.635 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)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H36O6Si/c1-5-25(29,6-2)18-31-21-10-14-23(15-11-21)32(3,4)22-12-8-20(9-13-22)30-17-19(26)7-16-24(27)28/h8-15,19,26,29H,5-7,16-18H2,1-4H3,(H,27,28)/t19-/m1/s1 |
| InChIKey | InChI | 1.06 | OWXFCNNGRPVSBM-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O)=O)cc2 |
| SMILES | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1)[Si](C)(C)c2ccc(OC[CH](O)CCC(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1)[Si](C)(C)c2ccc(cc2)OC[C@H](CCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1)[Si](C)(C)c2ccc(cc2)OCC(CCC(=O)O)O)O |
