7LU
Summary
| Name: | 2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one |
| Formula: | C15 H9 Cl O5 |
| Formal charge: | 0 |
| Formula weight: | 304.682 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H9ClO5/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,17-19H |
| InChIKey | InChI | 1.03 | OYAMKEPRYMXRQW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1O)C2=CC(=O)c3c(O)cc(Cl)cc3O2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1O)C2=CC(=O)c3c(O)cc(Cl)cc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O |
