Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1/C(CCC2C1CCCC2)=C(/c3ccc(cc3)O)c4ccc(O)cc4 |
InChI | InChI | 1.03 | InChI=1S/C23H26O2/c24-21-11-7-17(8-12-21)23(18-9-13-22(25)14-10-18)20-6-5-16-3-1-2-4-19(16)15-20/h7-14,16,19,24-25H,1-6,15H2/t16-,19-/m1/s1 |
InChIKey | InChI | 1.03 | WEMBKOCKJAUOFA-VQIMIIECSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)C(=C2CC[C@H]3CCCC[C@@H]3C2)c4ccc(O)cc4 |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C(=C2CC[CH]3CCCC[CH]3C2)c4ccc(O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=C2CC[C@H]3CCCC[C@@H]3C2)c4ccc(cc4)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=C2CCC3CCCCC3C2)c4ccc(cc4)O)O |