7ZS
Summary
| Name: | 3-methanoyl-2-oxidanyl-benzoic acid |
| Formula: | C8 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 166.131 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-methanoyl-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12) |
| InChIKey | InChI | 1.03 | YOEUNKPREOJHBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(C=O)c1O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(C=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)C(=O)O)O)C=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)C(=O)O)O)C=O |
