H5B
Summary
| Name: | 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid |
| Formula: | C11 H7 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 267.075 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H7BrO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15) |
| InChIKey | InChI | 1.03 | ORABWYPHDRBFAX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(Br)c2ccccc2c1O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(Br)c2ccccc2c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(cc(c2O)C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(cc(c2O)C(=O)O)Br |
