A1JS6
Summary
| Name: | (6~{R})-6-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
| Formula: | C16 H13 F3 O3 |
| Formal charge: | 0 |
| Formula weight: | 310.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (6~{R})-6-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H13F3O3/c17-16(18,19)11-3-1-2-9(6-11)10-4-5-12-13(15(20)21)8-22-14(12)7-10/h1-3,6,8,10H,4-5,7H2,(H,20,21)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | GLVDTIVRHZFUOY-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1coc2C[C@@H](CCc12)c3cccc(c3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)c1coc2C[CH](CCc12)c3cccc(c3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)[C@@H]2CCc3c(coc3C2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)C2CCc3c(coc3C2)C(=O)O |
