KBH
Summary
| Name: | 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid |
| Formula: | C13 H8 F2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 298.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H8F2O4S/c14-10-4-1-8(2-5-10)11-6-3-9(13(16)17)7-12(11)20(15,18)19/h1-7H,(H,16,17) |
| InChIKey | InChI | 1.03 | HNGNJNXHCQAHBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(c2ccc(F)cc2)c(c1)[S](F)(=O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(c2ccc(F)cc2)c(c1)[S](F)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(cc2S(=O)(=O)F)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(cc2S(=O)(=O)F)C(=O)O)F |
