I7E
Summary
| Name: | tert-butylbenzene |
| Formula: | C10 H14 |
| Formal charge: | 0 |
| Formula weight: | 134.218 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | tert-butylbenzene |
| OpenEye OEToolkits | 2.0.7 | ~{tert}-butylbenzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3 |
| InChIKey | InChI | 1.03 | YTZKOQUCBOVLHL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccccc1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccccc1 |
