WAF
Summary
| Name: | 1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid |
| Formula: | C6 H5 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 171.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 1-oxidanyl-6-sulfanylidene-pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1C=CC=C(C(=O)O)N1O |
| InChI | InChI | 1.06 | InChI=1S/C6H5NO3S/c8-6(9)4-2-1-3-5(11)7(4)10/h1-3,10H,(H,8,9) |
| InChIKey | InChI | 1.06 | BNYCWOPXGQKREA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1C(=S)C=CC=C1C(O)=O |
| SMILES | CACTVS | 3.385 | ON1C(=S)C=CC=C1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CC(=S)N(C(=C1)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CC(=S)N(C(=C1)C(=O)O)O |
