IOS
Summary
| Name: | 3-SULFOOXY-1H-INDOLE |
| Formula: | C8 H7 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 213.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1H-indol-3-yl hydrogen sulfate |
| OpenEye OEToolkits | 1.5.0 | 1H-indol-3-yl hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)Oc2c1ccccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[S](=O)(=O)Oc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.341 | O[S](=O)(=O)Oc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12) |
| InChIKey | InChI | 1.03 | BXFFHSIDQOFMLE-UHFFFAOYSA-N |
