MSH
Summary
| Name: | 3-METHANESULFONYL-HEXANE |
| Formula: | C7 H16 O2 S |
| Formal charge: | 0 |
| Formula weight: | 164.266 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R)-1-ethylbutyl methyl sulfone |
| OpenEye OEToolkits | 1.5.0 | (3R)-3-methylsulfonylhexane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | (3R)-3-(methylsulfonyl)hexane |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC[C@@H](CC)[S](C)(=O)=O |
| SMILES | CACTVS | 3.341 | CCC[CH](CC)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC[C@@H](CC)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCC(CC)S(=O)(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H16O2S/c1-4-6-7(5-2)10(3,8)9/h7H,4-6H2,1-3H3/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | SSGICEQGDAPIQK-SSDOTTSWSA-N |
