VIK
Summary
| Name: | methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate |
| Formula: | C7 H12 O4 S |
| Formal charge: | 0 |
| Formula weight: | 192.233 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S1(=O)CCC(CC(=O)OC)C1 |
| InChI | InChI | 1.06 | InChI=1S/C7H12O4S/c1-11-7(8)4-6-2-3-12(9,10)5-6/h6H,2-5H2,1H3/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | RYJMVDYQGFCLIW-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C[C@H]1CC[S](=O)(=O)C1 |
| SMILES | CACTVS | 3.385 | COC(=O)C[CH]1CC[S](=O)(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)C[C@H]1CCS(=O)(=O)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CC1CCS(=O)(=O)C1 |
