種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Oc3ccc(/C(c1ccc(O)cc1)=C2/CCC(CC)CC2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C21H24O2/c1-2-15-3-5-16(6-4-15)21(17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h7-15,22-23H,2-6H2,1H3 |
InChIKey | InChI | 1.03 | LEZGCOYFXQAYPT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | CC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1 |
SMILES | OpenEye OEToolkits | 1.9.2 | CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1 |