A1I7J
Summary
| Name: | Trinexapac-ethyl |
| Synonyms: | ethyl 4-[cyclopropyl(oxidanyl)methylidene]-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate Ethyl 4-(cyclopropyl(hydroxy)methylene)-3,5-dioxocyclohexanecarboxylate |
| Formula: | C13 H16 O5 |
| Formal charge: | 0 |
| Formula weight: | 252.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl 4-[cyclopropyl(oxidanyl)methylidene]-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | RVKCCVTVZORVGD-WYNUBKAASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[CH]1CC(=O)[C@](C(=O)C1)=[C](O)C2CC2 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH]1CC(=O)[C](C(=O)C1)=[C](O)C2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1 |
