EXW
Summary
| Name: | 2-fluoro-3,7,18-dolabellatriene |
| Formula: | C20 H31 F |
| Formal charge: | 0 |
| Formula weight: | 290.459 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R},3~{a}~{R},12~{a}~{R})-5-fluoranyl-3~{a},6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12~{a}-octahydro-1~{H}-cyclopenta[11]annulene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H31F/c1-14(2)17-11-12-20(5)13-19(21)16(4)8-6-7-15(3)9-10-18(17)20/h7,17-18H,1,6,8-13H2,2-5H3/b15-7?,19-16-/t17-,18+,20+/m0/s1 |
| InChIKey | InChI | 1.03 | WCSSNSDHTDBDFK-PWWCRXLASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C)[C@@H]1CC[C@]2(C)C\C(=C(/C)CC\C=C(C)/CC[C@H]12)F |
| SMILES | CACTVS | 3.385 | CC(=C)[CH]1CC[C]2(C)CC(=C(C)CCC=C(C)CC[CH]12)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CCCC(=C(C[C@]2(CC[C@H]([C@H]2CC1)C(=C)C)C)F)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CCCC(=C(CC2(CCC(C2CC1)C(=C)C)C)F)C |
