Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)/C(c2ccc(O)cc2)=C3/CC(CCC3)C |
InChI | InChI | 1.03 | InChI=1S/C20H22O2/c1-14-3-2-4-17(13-14)20(15-5-9-18(21)10-6-15)16-7-11-19(22)12-8-16/h5-12,14,21-22H,2-4,13H2,1H3/t14-/m1/s1 |
InChIKey | InChI | 1.03 | QUCLTMSWCMCJJC-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | C[CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 |