BKN
Summary
Name: | ethyl 5-oxohexanoate |
Formula: | C8 H14 O3 |
Formal charge: | 0 |
Formula weight: | 158.195 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | ethyl 5-oxidanylidenehexanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3 |
InChIKey | InChI | 1.03 | MGPSIDGTLFKDEY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCCC(C)=O |
SMILES | CACTVS | 3.385 | CCOC(=O)CCCC(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CCCC(=O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CCCC(=O)C |