A1L8B
Summary
| Name: | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-propyl-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-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-propyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H44O6Si/c1-7-16-36(6,25-12-14-27(22(5)18-25)35-20-29(33,8-2)9-3)24-11-13-26(21(4)17-24)34-19-23(30)10-15-28(31)32/h11-14,17-18,23,30,33H,7-10,15-16,19-20H2,1-6H3,(H,31,32)/t23-,36+/m0/s1 |
| InChIKey | InChI | 1.06 | QIPUEXXIUNZLGD-RJVOLCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[Si@](C)(c1ccc(OC[C@@H](O)CCC(O)=O)c(C)c1)c2ccc(OCC(O)(CC)CC)c(C)c2 |
| SMILES | CACTVS | 3.385 | CCC[Si](C)(c1ccc(OC[CH](O)CCC(O)=O)c(C)c1)c2ccc(OCC(O)(CC)CC)c(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[Si@](C)(c1ccc(c(c1)C)OC[C@H](CCC(=O)O)O)c2ccc(c(c2)C)OCC(CC)(CC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC[Si](C)(c1ccc(c(c1)C)OCC(CCC(=O)O)O)c2ccc(c(c2)C)OCC(CC)(CC)O |
