S7Z
Summary
| Name: | (E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol |
| Synonyms: | [4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol |
| Formula: | C14 H6 F4 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 342.202 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{Z})-[4-carboxy-2,6-bis(fluoranyl)phenyl]diazenyl]-3,5-bis(fluoranyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19- |
| InChIKey | InChI | 1.06 | UGNSRBICRLILLW-VXPUYCOJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1F)/N=N\c2c(cc(cc2F)C(=O)O)F)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1F)N=Nc2c(cc(cc2F)C(=O)O)F)F)C(=O)O |
