A1L74
Summary
| Name: | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-2,3-dimethyl-phenyl]-dimethyl-silyl]-2,3-dimethyl-phenoxy]-4-oxidanyl-pentanoic acid |
| Formula: | C29 H44 O6 Si |
| Formal charge: | 0 |
| Formula weight: | 516.742 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)-2,3-dimethyl-phenyl]-dimethyl-silyl]-2,3-dimethyl-phenoxy]-4-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H44O6Si/c1-9-29(33,10-2)18-35-25-13-15-27(22(6)20(25)4)36(7,8)26-14-12-24(19(3)21(26)5)34-17-23(30)11-16-28(31)32/h12-15,23,30,33H,9-11,16-18H2,1-8H3,(H,31,32)/t23-/m1/s1 |
| InChIKey | InChI | 1.06 | OUTAWAKGHUBDDX-HSZRJFAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(c(C)c1C)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O)=O)c(C)c2C |
| SMILES | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(c(C)c1C)[Si](C)(C)c2ccc(OC[CH](O)CCC(O)=O)c(C)c2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(c(c1C)C)[Si](C)(C)c2ccc(c(c2C)C)OC[C@H](CCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(c(c1C)C)[Si](C)(C)c2ccc(c(c2C)C)OCC(CCC(=O)O)O)O |
