B7S
Summary
| Name: | 5,7-dihydroxy-4H-1-benzopyran-4-one |
| Formula: | C9 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 178.142 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5,7-dihydroxy-4H-1-benzopyran-4-one |
| OpenEye OEToolkits | 2.0.6 | 5,7-bis(oxidanyl)chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C=COc2c1c(cc(c2)O)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H |
| InChIKey | InChI | 1.03 | NYCXYKOXLNBYID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c2C(=O)C=COc2c1 |
| SMILES | CACTVS | 3.385 | Oc1cc(O)c2C(=O)C=COc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc2c(c1O)C(=O)C=CO2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc2c(c1O)C(=O)C=CO2)O |
