種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Oc2c(C1C(CCC(=C1)C)/C(C)=C)c(O)cc(c2)C |
InChI | InChI | 1.03 | InChI=1S/C17H22O2/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,18-19H,1,5-6H2,2-4H3/t13-,14+/m0/s1 |
InChIKey | InChI | 1.03 | GKVOVXWEBSQJPA-UONOGXRCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=C)[C@@H]1CCC(=C[C@H]1c2c(O)cc(C)cc2O)C |
SMILES | CACTVS | 3.385 | CC(=C)[CH]1CCC(=C[CH]1c2c(O)cc(C)cc2O)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C)C)O |