3H2
Summary
| Name: | pentylbenzene |
| Formula: | C11 H16 |
| Formal charge: | 0 |
| Formula weight: | 148.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pentylbenzene |
| OpenEye OEToolkits | 1.9.2 | pentylbenzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccccc1CCCCC |
| InChI | InChI | 1.03 | InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3 |
| InChIKey | InChI | 1.03 | PWATWSYOIIXYMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCc1ccccc1 |
| SMILES | CACTVS | 3.385 | CCCCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCc1ccccc1 |
