YZ9
Summary
| Name: | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER |
| Formula: | C12 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 234.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ethyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate |
| OpenEye OEToolkits | 1.5.0 | ethyl 7-hydroxy-2-oxo-chromene-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCC)C1=Cc2c(OC1=O)cc(O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)C1=Cc2ccc(O)cc2OC1=O |
| SMILES | CACTVS | 3.341 | CCOC(=O)C1=Cc2ccc(O)cc2OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)C1=Cc2ccc(cc2OC1=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)C1=Cc2ccc(cc2OC1=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3 |
| InChIKey | InChI | 1.03 | IETDBZQIWIJQJG-UHFFFAOYSA-N |
