L85
Summary
| Name: | 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid |
| Formula: | C12 H10 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 278.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid |
| OpenEye OEToolkits | 1.7.0 | 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)c2ccc(/N=N/c1ccc(O)cc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(cc1)N=Nc2ccc(cc2)[S](O)(=O)=O |
| SMILES | CACTVS | 3.370 | Oc1ccc(cc1)N=Nc2ccc(cc2)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1/N=N/c2ccc(cc2)S(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1N=Nc2ccc(cc2)S(=O)(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)19(16,17)18/h1-8,15H,(H,16,17,18)/b14-13+ |
| InChIKey | InChI | 1.03 | CNYMBHPFLJWLJW-BUHFOSPRSA-N |
