90Q
Summary
| Name: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
| Formula: | C15 H11 Cl O5 |
| Formal charge: | 0 |
| Formula weight: | 306.698 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H11ClO5/c16-9-3-7(1-2-10(9)18)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,17-19H,6H2/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | GOSBDBOXKLAPRA-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c2C(=O)C[C@@H](Oc2c1)c3ccc(O)c(Cl)c3 |
| SMILES | CACTVS | 3.385 | Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)c(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2CC(=O)c3c(cc(cc3O2)O)O)Cl)O |
