XK6
Summary
| Name: | 8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Formula: | C10 H6 F N O5 S |
| Formal charge: | 0 |
| Formula weight: | 271.222 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 8-fluorosulfonyl-4-oxidanylidene-1~{H}-quinoline-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FS(=O)(=O)c1cccc2c1NC=C(C2=O)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C10H6FNO5S/c11-18(16,17)7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.06 | HRNLMDOGOLJRKZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CNc2c(cccc2[S](F)(=O)=O)C1=O |
| SMILES | CACTVS | 3.385 | OC(=O)C1=CNc2c(cccc2[S](F)(=O)=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)S(=O)(=O)F)NC=C(C2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)S(=O)(=O)F)NC=C(C2=O)C(=O)O |
