A1MCO
Summary
| Name: | isofraxidin |
| Synonyms: | 6,8-dimethoxy-7-oxidanyl-chromen-2-one |
| Formula: | C11 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 222.194 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6,8-dimethoxy-7-oxidanyl-chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3 |
| InChIKey | InChI | 1.06 | HOEVRHHMDJKUMZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2C=CC(=O)Oc2c(OC)c1O |
| SMILES | CACTVS | 3.385 | COc1cc2C=CC(=O)Oc2c(OC)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(c(c1O)OC)OC(=O)C=C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(c(c1O)OC)OC(=O)C=C2 |
