JBC
Summary
| Name: | 5-[(E)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid |
| Formula: | C14 H10 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 302.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(~{E})-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+ |
| InChIKey | InChI | 1.03 | QQBDLJCYGRGAKP-FOCLMDBBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1O)N=Nc2ccc(O)c(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1O)N=Nc2ccc(O)c(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1/N=N/c2ccc(c(c2)C(=O)O)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N=Nc2ccc(c(c2)C(=O)O)O)C(=O)O)O |
