A1L7Z
Summary
| Name: | (4~{S})-5-[2-ethyl-4-[[3-ethyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]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-[2-ethyl-4-[[3-ethyl-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/C29H44O6Si/c1-7-21-17-24(12-14-26(21)34-19-23(30)11-16-28(31)32)36(5,6)25-13-15-27(22(8-2)18-25)35-20-29(33,9-3)10-4/h12-15,17-18,23,30,33H,7-11,16,19-20H2,1-6H3,(H,31,32)/t23-/m0/s1 |
| InChIKey | InChI | 1.06 | GKOWYUYIKZRUDT-QHCPKHFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(ccc1OC[C@@H](O)CCC(O)=O)[Si](C)(C)c2ccc(OCC(O)(CC)CC)c(CC)c2 |
| SMILES | CACTVS | 3.385 | CCc1cc(ccc1OC[CH](O)CCC(O)=O)[Si](C)(C)c2ccc(OCC(O)(CC)CC)c(CC)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cc(ccc1OC[C@H](CCC(=O)O)O)[Si](C)(C)c2ccc(c(c2)CC)OCC(CC)(CC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc(ccc1OCC(CCC(=O)O)O)[Si](C)(C)c2ccc(c(c2)CC)OCC(CC)(CC)O |
