FVB
Summary
| Name: | (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol |
| Formula: | C26 H32 F6 O3 |
| Formal charge: | 0 |
| Formula weight: | 506.521 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H32F6O3/c1-3-19(11-12-20-15-22(33)16-23(34)17(20)2)21-10-7-9-18(14-21)8-5-4-6-13-24(35,25(27,28)29)26(30,31)32/h7,9-12,14,22-23,33-35H,2-6,8,13,15-16H2,1H3/b19-11+,20-12-/t22-,23+/m1/s1 |
| InChIKey | InChI | 1.06 | MARICLVKOFLLAP-JRJKOMHBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)/c2cccc(CCCCCC(O)(C(F)(F)F)C(F)(F)F)c2 |
| SMILES | CACTVS | 3.385 | CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(O)(C(F)(F)F)C(F)(F)F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C(F)(F)F)(C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCCCCC(C(F)(F)F)(C(F)(F)F)O |
