OBK
Summary
| Name: | 7-ethoxy-7-oxidanylidene-heptanoic acid |
| Synonyms: | pimelic acid monoethyl ester |
| Formula: | C9 H16 O4 |
| Formal charge: | 0 |
| Formula weight: | 188.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-ethoxy-7-oxidanylidene-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | NQYXFXWKKYGBNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)CCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCCCCC(=O)O |
