A1L77
Summary
| Name: | (4~{S})-5-[4-[dibutyl-[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| Formula: | C33 H52 O6 Si |
| Formal charge: | 0 |
| Formula weight: | 572.848 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-5-[4-[dibutyl-[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/C33H52O6Si/c1-7-11-19-40(20-12-8-2,29-15-17-31(26(6)22-29)39-24-33(37,9-3)10-4)28-14-16-30(25(5)21-28)38-23-27(34)13-18-32(35)36/h14-17,21-22,27,34,37H,7-13,18-20,23-24H2,1-6H3,(H,35,36)/t27-/m0/s1 |
| InChIKey | InChI | 1.06 | VIAQTQKQQPBVMW-MHZLTWQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[Si](CCCC)(c1ccc(OC[C@@H](O)CCC(O)=O)c(C)c1)c2ccc(OCC(O)(CC)CC)c(C)c2 |
| SMILES | CACTVS | 3.385 | CCCC[Si](CCCC)(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 | CCCC[Si](CCCC)(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 | CCCC[Si](CCCC)(c1ccc(c(c1)C)OCC(CCC(=O)O)O)c2ccc(c(c2)C)OCC(CC)(CC)O |
