A1L73
Summary
| Name: | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-2-methyl-phenyl]-dimethyl-silyl]-3-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)-2-methyl-phenyl]-dimethyl-silyl]-3-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)18-33-23-11-13-25(20(4)16-23)34(5,6)24-12-10-22(15-19(24)3)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 | OSYCNJSNXPMJRY-NRFANRHFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(c(C)c1)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O)=O)cc2C |
| SMILES | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(c(C)c1)[Si](C)(C)c2ccc(OC[CH](O)CCC(O)=O)cc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(c(c1)C)[Si](C)(C)c2ccc(cc2C)OC[C@H](CCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(c(c1)C)[Si](C)(C)c2ccc(cc2C)OCC(CCC(=O)O)O)O |
