6J6
Summary
| Name: | (2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one |
| Formula: | C15 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 272.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12O5/c16-9-2-4-14-10(6-9)12(18)7-15(20-14)8-1-3-11(17)13(19)5-8/h1-6,15-17,19H,7H2/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | SHYJMIHVPPCBNP-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2O[C@H](CC(=O)c2c1)c3ccc(O)c(O)c3 |
| SMILES | CACTVS | 3.385 | Oc1ccc2O[CH](CC(=O)c2c1)c3ccc(O)c(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1[C@H]2CC(=O)c3cc(ccc3O2)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1C2CC(=O)c3cc(ccc3O2)O)O)O |
