QC9
Summary
| Name: | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid |
| Formula: | C6 H14 O7 S |
| Formal charge: | 0 |
| Formula weight: | 230.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H14O7S/c7-2-1-4(8)6(10)5(9)3-14(11,12)13/h4-10H,1-3H2,(H,11,12,13)/t4-,5-,6-/m0/s1 |
| InChIKey | InChI | 1.06 | CASIPAVAJJTHFL-ZLUOBGJFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@H](O)[C@H](O)[C@@H](O)C[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | OCC[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(CO)[C@@H]([C@@H]([C@H](CS(=O)(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(CO)C(C(C(CS(=O)(=O)O)O)O)O |
