AO7
Summary
| Name: | 4-oxo-4H-1-benzopyran-2-carboxylic acid |
| Synonyms: | 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPOXY)-,(1A,2A,3B,5Z,7E) |
| Formula: | C10 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 190.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-oxo-4H-1-benzopyran-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 4-oxidanylidenechromene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(O)C2=CC(c1ccccc1O2)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13) |
| InChIKey | InChI | 1.03 | RVMGXWBCQGAWBR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CC(=O)c2ccccc2O1 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=CC(=O)c2ccccc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)C=C(O2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)C=C(O2)C(=O)O |
