A1L78
Summary
| Name: | (4~{S})-5-[4-[diethyl-[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]silyl]-2-methyl-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-[diethyl-[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H44O6Si/c1-7-29(33,8-2)20-35-27-15-13-25(18-22(27)6)36(9-3,10-4)24-12-14-26(21(5)17-24)34-19-23(30)11-16-28(31)32/h12-15,17-18,23,30,33H,7-11,16,19-20H2,1-6H3,(H,31,32)/t23-/m1/s1 |
| InChIKey | InChI | 1.06 | ACMSFXPVKXNDEF-HSZRJFAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1C)[Si](CC)(CC)c2ccc(OC[C@@H](O)CCC(O)=O)c(C)c2 |
| SMILES | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1C)[Si](CC)(CC)c2ccc(OC[CH](O)CCC(O)=O)c(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1C)[Si](CC)(CC)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1C)[Si](CC)(CC)c2ccc(c(c2)C)OCC(CCC(=O)O)O)O |
