I4B
Summary
| Name: | ISOBUTYLBENZENE |
| Formula: | C10 H14 |
| Formal charge: | 0 |
| Formula weight: | 134.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2-methylpropyl)benzene |
| OpenEye OEToolkits | 1.5.0 | 2-methylpropylbenzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | c1ccccc1CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)Cc1ccccc1 |
| SMILES | CACTVS | 3.341 | CC(C)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)Cc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)Cc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | KXUHSQYYJYAXGZ-UHFFFAOYSA-N |
