A1JS1
Summary
| Name: | (6~{R})-6-(2-bromanyl-6-chloranyl-phenyl)-4-oxidanylidene-6,7-dihydro-5~{H}-1-benzofuran-3-carboxylic acid |
| Formula: | C15 H10 Br Cl O4 |
| Formal charge: | 0 |
| Formula weight: | 369.595 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (6~{R})-6-(2-bromanyl-6-chloranyl-phenyl)-4-oxidanylidene-6,7-dihydro-5~{H}-1-benzofuran-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H10BrClO4/c16-9-2-1-3-10(17)13(9)7-4-11(18)14-8(15(19)20)6-21-12(14)5-7/h1-3,6-7H,4-5H2,(H,19,20)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | MYVPHVNRGCNDMP-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1coc2C[C@H](CC(=O)c12)c3c(Cl)cccc3Br |
| SMILES | CACTVS | 3.385 | OC(=O)c1coc2C[CH](CC(=O)c12)c3c(Cl)cccc3Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Br)[C@@H]2Cc3c(c(co3)C(=O)O)C(=O)C2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Br)C2Cc3c(c(co3)C(=O)O)C(=O)C2)Cl |
