3GZ
Summary
| Name: | hexylbenzene |
| Formula: | C12 H18 |
| Formal charge: | 0 |
| Formula weight: | 162.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | hexylbenzene |
| OpenEye OEToolkits | 1.9.2 | hexylbenzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccccc1CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3 |
| InChIKey | InChI | 1.03 | LTEQMZWBSYACLV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1ccccc1 |
| SMILES | CACTVS | 3.385 | CCCCCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCc1ccccc1 |
