1UR
Summary
| Name: | 4-(4-oxo-4H-chromen-2-yl)benzoic acid |
| Formula: | C16 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 266.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-oxo-4H-chromen-2-yl)benzoic acid |
| OpenEye OEToolkits | 1.7.6 | 4-(4-oxidanylidenechromen-2-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H10O4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H,(H,18,19) |
| InChIKey | InChI | 1.03 | GDILHIUGUNCNDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O |
