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 |