GY0
Summary
| Name: | methyl 3-[(E,3R,9R)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate |
| Formula: | C14 H24 O5 S |
| Formal charge: | 0 |
| Formula weight: | 304.402 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 3-[(~{E},3~{R},9~{R})-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H24O5S/c1-11(15)6-4-3-5-7-12(16)10-14(18)20-9-8-13(17)19-2/h5,7,11-12,15-16H,3-4,6,8-10H2,1-2H3/b7-5+/t11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | ALEAPVQZLMYNNX-BAEOLTKYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CCSC(=O)C[C@@H](O)\C=C\CCC[C@@H](C)O |
| SMILES | CACTVS | 3.385 | COC(=O)CCSC(=O)C[CH](O)C=CCCC[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CCC/C=C/[C@@H](CC(=O)SCCC(=O)OC)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCCC=CC(CC(=O)SCCC(=O)OC)O)O |
