ASF
Summary
| Name: | 3-(BUTYLSULPHONYL)-PROPANOIC ACID |
| Formula: | C7 H14 O4 S |
| Formal charge: | 0 |
| Formula weight: | 194.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(butylsulfonyl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-butylsulfonylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(CCC(=O)O)CCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC[S](=O)(=O)CCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCC[S](=O)(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCS(=O)(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCS(=O)(=O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14O4S/c1-2-3-5-12(10,11)6-4-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChIKey | InChI | 1.03 | GSHVAQAKBLEIEY-UHFFFAOYSA-N |
