J5R
Summary
| Name: | 8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid |
| Formula: | C14 H7 Cl O4 |
| Formal charge: | 0 |
| Formula weight: | 274.656 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H7ClO4/c15-9-2-1-3-10-12(9)13(16)8-5-4-7(14(17)18)6-11(8)19-10/h1-6H,(H,17,18) |
| InChIKey | InChI | 1.03 | HVNIYRBLTIFYAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2C(=O)c3c(Cl)cccc3Oc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2C(=O)c3c(Cl)cccc3Oc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O |
