種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c(O)c1 |
InChI | InChI | 1.06 | InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1 |
InChIKey | InChI | 1.06 | ZROLHBHDLIHEMS-HUUCEWRRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |
SMILES | CACTVS | 3.385 | CCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1cc(c2c(c1)OC(C3C2C=C(CC3)C)(C)C)O |