4ON
Summary
| Name: | 5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol |
| Formula: | C18 H29 F O2 |
| Formal charge: | 0 |
| Formula weight: | 296.42 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(2~{S},7~{R})-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H29FO2/c1-3-4-8-16(19)9-6-5-7-14(2)10-15-11-17(20)13-18(21)12-15/h11-14,16,20-21H,3-10H2,1-2H3/t14-,16+/m0/s1 |
| InChIKey | InChI | 1.03 | OSAGUKIZXFZGQI-GOEBONIOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@@H](F)CCCC[C@H](C)Cc1cc(O)cc(O)c1 |
| SMILES | CACTVS | 3.385 | CCCC[CH](F)CCCC[CH](C)Cc1cc(O)cc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(CCCCC(C)Cc1cc(cc(c1)O)O)F |
