L3Y
Summary
| Name: | 4-(methylsulfonyl)benzaldehyde |
| Formula: | C8 H8 O3 S |
| Formal charge: | 0 |
| Formula weight: | 184.212 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(methylsulfonyl)benzaldehyde |
| OpenEye OEToolkits | 2.0.7 | 4-methylsulfonylbenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CS(c1ccc(C=O)cc1)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3 |
| InChIKey | InChI | 1.03 | PSVPUHBSBYJSMQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(C=O)cc1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(C=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(cc1)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(cc1)C=O |
