A1JBK
Summary
| Name: | (2~{R})-2-(4-methoxyphenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
| Formula: | C16 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 286.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(4-methoxyphenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1 |
| InChIKey | InChI | 1.06 | HMUJXQRRKBLVOO-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@H]2CC(=O)c3c(O)cc(O)cc3O2 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)[C@H]2CC(=O)c3c(cc(cc3O2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C2CC(=O)c3c(cc(cc3O2)O)O |
