S95
Summary
| Name: | isoquinoline-5-sulfonic acid |
| Formula: | C9 H7 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 209.222 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | isoquinoline-5-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13) |
| InChIKey | InChI | 1.03 | YFMJTLUPSMCTOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)c1cccc2cnccc12 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1cccc2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cnccc2c(c1)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cnccc2c(c1)S(=O)(=O)O |
