種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C1CCC2CCCC1C2C(c3ccc(O)cc3)c4ccc(cc4)O |
InChI | InChI | 1.03 | InChI=1S/C22H26O2/c23-19-11-7-17(8-12-19)22(18-9-13-20(24)14-10-18)21-15-3-1-4-16(21)6-2-5-15/h7-16,21-24H,1-6H2/t15-,16+,21- |
InChIKey | InChI | 1.03 | XMGZSDUYJAXVID-VPTLXERWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)C(C2C3CCCC2CCC3)c4ccc(O)cc4 |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C(C2C3CCCC2CCC3)c4ccc(O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O |