A1ITX
Summary
| Name: | 4-ethoxynaphthalene-1-sulfonic acid |
| Formula: | C12 H12 O4 S |
| Formal charge: | 0 |
| Formula weight: | 252.286 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-ethoxynaphthalene-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H12O4S/c1-2-16-11-7-8-12(17(13,14)15)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H,13,14,15) |
| InChIKey | InChI | 1.06 | PMPLWDDMMDSMCW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(c2ccccc12)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | CCOc1ccc(c2ccccc12)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(c2c1cccc2)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(c2c1cccc2)S(=O)(=O)O |
