B5C
Summary
| Name: | 2-oxo-2H-1,3-benzoxathiol-5-yl acetate |
| Formula: | C9 H6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 210.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-oxo-2H-1,3-benzoxathiol-5-yl acetate |
| OpenEye OEToolkits | 2.0.6 | (2-oxidanylidene-1,3-benzoxathiol-5-yl) ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(Sc1cc(OC(C)=O)ccc1O2)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H6O4S/c1-5(10)12-6-2-3-7-8(4-6)14-9(11)13-7/h2-4H,1H3 |
| InChIKey | InChI | 1.03 | GBLGMSCMLNOGSY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Oc1ccc2OC(=O)Sc2c1 |
| SMILES | CACTVS | 3.385 | CC(=O)Oc1ccc2OC(=O)Sc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)Oc1ccc2c(c1)SC(=O)O2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)Oc1ccc2c(c1)SC(=O)O2 |
