F08
Summary
| Name: | methyl 4-(4-oxo-4H-chromen-2-yl)benzoate |
| Formula: | C17 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 280.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 4-(4-oxo-4H-chromen-2-yl)benzoate |
| OpenEye OEToolkits | 1.7.6 | methyl 4-(4-oxidanylidenechromen-2-yl)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H12O4/c1-20-17(19)12-8-6-11(7-9-12)16-10-14(18)13-4-2-3-5-15(13)21-16/h2-10H,1H3 |
| InChIKey | InChI | 1.03 | BDADRHKVFGYIRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.370 | COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
