6WU
Summary
| Name: | (1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol |
| Formula: | C16 H18 F2 O2 |
| Formal charge: | 0 |
| Formula weight: | 280.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18F2O2/c1-16-5-4-9(6-10(16)2-3-15(16)20)11-7-13(18)14(19)8-12(11)17/h4,7-8,10,15,19-20H,2-3,5-6H2,1H3/t10-,15+,16+/m1/s1 |
| InChIKey | InChI | 1.03 | IDSMMMGNALFBJL-VFVAKGGASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CC=C(C[C@H]1CC[C@@H]2O)c3cc(F)c(O)cc3F |
| SMILES | CACTVS | 3.385 | C[C]12CC=C(C[CH]1CC[CH]2O)c3cc(F)c(O)cc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C[C@]12CC=C(C[C@H]1CC[C@@H]2O)c3cc(c(cc3F)O)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC12CC=C(CC1CCC2O)c3cc(c(cc3F)O)F |
