6BK
Summary
| Name: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one |
| Formula: | C15 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 270.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one |
| OpenEye OEToolkits | 2.0.4 | 2-[3,4-bis(oxidanyl)phenyl]-5-oxidanyl-chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1cc(ccc1O)C2=CC(=O)c3c(O2)cccc3O |
| InChI | InChI | 1.03 | InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16-18H |
| InChIKey | InChI | 1.03 | KXPQYWKYYDYOCQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1O)C2=CC(=O)c3c(O)cccc3O2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1O)C2=CC(=O)c3c(O)cccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O |
