8JZ
Summary
| Name: | butyl acetate |
| Formula: | C6 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 116.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | butyl acetate |
| OpenEye OEToolkits | 1.5.0 | butyl ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCCCC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCOC(C)=O |
| SMILES | CACTVS | 3.341 | CCCCOC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCOC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCOC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 |
| InChIKey | InChI | 1.03 | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
