83D
Summary
| Name: | 5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| Formula: | C14 H11 F O3 |
| Formal charge: | 0 |
| Formula weight: | 246.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| OpenEye OEToolkits | 2.0.6 | 5-[(~{Z})-2-fluoranyl-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cc(cc1O)/C=C(/c2ccc(cc2)O)F)O |
| InChI | InChI | 1.03 | InChI=1S/C14H11FO3/c15-14(10-1-3-11(16)4-2-10)7-9-5-12(17)8-13(18)6-9/h1-8,16-18H/b14-7- |
| InChIKey | InChI | 1.03 | PNBPFKSSWYNPPD-AUWJEWJLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)/C(F)=C/c2cc(O)cc(O)c2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C(F)=Cc2cc(O)cc(O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=Cc2cc(cc(c2)O)O)F)O |
