9J6
Summary
| Name: | 6-ethoxy-6-oxohexanoic acid |
| Synonyms: | Adipic acid monoethyl ester |
| Formula: | C8 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 174.194 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-ethoxy-6-oxohexanoic acid |
| OpenEye OEToolkits | 2.0.6 | 6-ethoxy-6-oxidanylidene-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCC(=O)OCC |
| InChI | InChI | 1.03 | InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | UZNLHJCCGYKCIL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CCCCC(=O)O |
