LW9
Summary
| Name: | 3-ethylheptane |
| Formula: | C9 H20 |
| Formal charge: | 0 |
| Formula weight: | 128.255 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-ethylheptane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3 |
| InChIKey | InChI | 1.03 | PSVQKOKKLWHNRP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC(CC)CC |
| SMILES | CACTVS | 3.385 | CCCCC(CC)CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCC(CC)CC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCC(CC)CC |
