Q23
Summary
| Name: | (3R)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate |
| Formula: | C10 H10 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 274.313 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate |
| OpenEye OEToolkits | 1.7.0 | [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] benzenesulfonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S2(=O)C=CC(OS(=O)(=O)c1ccccc1)C2 |
| SMILES_CANONICAL | CACTVS | 3.370 | O=[S]1(=O)C[C@H](O[S](=O)(=O)c2ccccc2)C=C1 |
| SMILES | CACTVS | 3.370 | O=[S]1(=O)C[CH](O[S](=O)(=O)c2ccccc2)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)S(=O)(=O)O[C@H]2CS(=O)(=O)C=C2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)S(=O)(=O)OC2CS(=O)(=O)C=C2 |
| InChI | InChI | 1.03 | InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | RFHUNIXPGHBTTE-SECBINFHSA-N |
