A1JS0
Summary
| Name: | (6~{R})-6-(2-bromanyl-6-chloranyl-phenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
| Formula: | C15 H12 Br Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 355.611 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (6~{R})-6-(2-bromanyl-6-chloranyl-phenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H12BrClO3/c16-11-2-1-3-12(17)14(11)8-4-5-9-10(15(18)19)7-20-13(9)6-8/h1-3,7-8H,4-6H2,(H,18,19)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | PXATWEDKSIVULN-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1coc2C[C@@H](CCc12)c3c(Cl)cccc3Br |
| SMILES | CACTVS | 3.385 | OC(=O)c1coc2C[CH](CCc12)c3c(Cl)cccc3Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Br)[C@@H]2CCc3c(coc3C2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Br)C2CCc3c(coc3C2)C(=O)O)Cl |
