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Summary
| Name: | 1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid |
| Formula: | C10 H12 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 240.279 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 1-propan-2-ylbenzimidazole-2-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)c2nc1ccccc1n2C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)n1c2ccccc2nc1[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | CC(C)n1c2ccccc2nc1[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)n1c2ccccc2nc1S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)n1c2ccccc2nc1S(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O3S/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)16(13,14)15/h3-7H,1-2H3,(H,13,14,15) |
| InChIKey | InChI | 1.03 | ZSZNPVDVEUJQJS-UHFFFAOYSA-N |
