3GY
Summary
| Name: | (2R)-butan-2-ylbenzene |
| Synonyms: | sec-Butylbenzene |
| Formula: | C10 H14 |
| Formal charge: | 0 |
| Formula weight: | 134.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-butan-2-ylbenzene |
| OpenEye OEToolkits | 1.9.2 | [(2R)-butan-2-yl]benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccccc1C(CC)C |
| InChI | InChI | 1.03 | InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | ZJMWRROPUADPEA-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)c1ccccc1 |
| SMILES | CACTVS | 3.385 | CC[CH](C)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC[C@@H](C)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(C)c1ccccc1 |
