A1I1W
Summary
| Name: | 2-hydroxy-5-(phenylethynyl)benzoic acid |
| Formula: | C15 H9 O3 |
| Formal charge: | -1 |
| Formula weight: | 237.23 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanyl-5-(2-phenylethynyl)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H10O3/c16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11/h1-5,8-10,16H,(H,17,18)/p-1 |
| InChIKey | InChI | 1.06 | KMDHRTJLNUICNY-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1C([O-])=O)C#Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1C([O-])=O)C#Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C#Cc2ccc(c(c2)C(=O)[O-])O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C#Cc2ccc(c(c2)C(=O)[O-])O |
