A1L79
Summary
| Name: | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-dipropyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| Formula: | C31 H48 O6 Si |
| Formal charge: | 0 |
| Formula weight: | 544.795 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]-dipropyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C31H48O6Si/c1-7-17-38(18-8-2,27-13-15-29(24(6)20-27)37-22-31(35,9-3)10-4)26-12-14-28(23(5)19-26)36-21-25(32)11-16-30(33)34/h12-15,19-20,25,32,35H,7-11,16-18,21-22H2,1-6H3,(H,33,34)/t25-/m0/s1 |
| InChIKey | InChI | 1.06 | WEFOCDOWLUCQPS-VWLOTQADSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[Si](CCC)(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](CCC)(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](CCC)(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](CCC)(c1ccc(c(c1)C)OCC(CCC(=O)O)O)c2ccc(c(c2)C)OCC(CC)(CC)O |
