A1L76
Summary
| Name: | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-bis(prop-2-enyl)silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| Formula: | C31 H44 O6 Si |
| Formal charge: | 0 |
| Formula weight: | 540.763 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]-bis(prop-2-enyl)silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C31H44O6Si/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/h7-8,12-15,19-20,25,32,35H,1-2,9-11,16-18,21-22H2,3-6H3,(H,33,34)/t25-/m1/s1 |
| InChIKey | InChI | 1.06 | ACVDDFOGQPPGOI-RUZDIDTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1C)[Si](CC=C)(CC=C)c2ccc(OC[C@@H](O)CCC(O)=O)c(C)c2 |
| SMILES | CACTVS | 3.385 | CCC(O)(CC)COc1ccc(cc1C)[Si](CC=C)(CC=C)c2ccc(OC[CH](O)CCC(O)=O)c(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1C)[Si](CC=C)(CC=C)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1ccc(cc1C)[Si](CC=C)(CC=C)c2ccc(c(c2)C)OCC(CCC(=O)O)O)O |
