MBN
Summary
| Name: | TOLUENE |
| Formula: | C7 H8 |
| Formal charge: | 0 |
| Formula weight: | 92.138 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methylbenzene |
| OpenEye OEToolkits | 1.5.0 | methylbenzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | c1ccccc1C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccccc1 |
| SMILES | CACTVS | 3.341 | Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | InChI | 1.03 | YXFVVABEGXRONW-UHFFFAOYSA-N |
