種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)/C(c2ccc(cc2)O)=C3\CCC(CCOCCCCF)CC3 |
InChI | InChI | 1.03 | InChI=1S/C25H31FO3/c26-16-1-2-17-29-18-15-19-3-5-20(6-4-19)25(21-7-11-23(27)12-8-21)22-9-13-24(28)14-10-22/h7-14,19,27-28H,1-6,15-18H2 |
InChIKey | InChI | 1.03 | KVNYDSVWDPQPMD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)[C](=[C]2CC[CH](CCOCCCCF)CC2)c3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1)[C](=[C]2CC[CH](CCOCCCCF)CC2)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=C2CCC(CC2)CCOCCCCF)c3ccc(cc3)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=C2CCC(CC2)CCOCCCCF)c3ccc(cc3)O)O |