D8S
Summary
| Name: | benzo[g][1]benzothiole-2-carboxylic acid |
| Formula: | C13 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 228.266 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | benzo[g][1]benzothiole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H8O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-7H,(H,14,15) |
| InChIKey | InChI | 1.03 | KRSFUJUZIQCOHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sc2c(ccc3ccccc23)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1sc2c(ccc3ccccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ccc3c2sc(c3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ccc3c2sc(c3)C(=O)O |
