A1L71
Summary
| Name: | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-dimethyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| Formula: | C27 H40 O6 Si |
| Formal charge: | 0 |
| Formula weight: | 488.688 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-methyl-phenyl]-dimethyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H40O6Si/c1-7-27(31,8-2)18-33-25-13-11-23(16-20(25)4)34(5,6)22-10-12-24(19(3)15-22)32-17-21(28)9-14-26(29)30/h10-13,15-16,21,28,31H,7-9,14,17-18H2,1-6H3,(H,29,30)/t21-/m0/s1 |
| InChIKey | InChI | 1.06 | ZRDFZSBOZQJKGC-NRFANRHFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1C)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O)=O)c(C)c2 |
| SMILES | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1C)[Si](C)(C)c2ccc(OC[CH](O)CCC(O)=O)c(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1C)[Si](C)(C)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1C)[Si](C)(C)c2ccc(c(c2)C)OCC(CCC(=O)O)O)O |
