Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc1ccc(cc1)C2OCC3(C(C=C(C2C3C)C)C)CO |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1C=C(C)[C@@H]2[C@H](C)[C@@]1(CO)CO[C@@H]2c3ccc(O)cc3 |
SMILES | CACTVS | 3.341 | C[CH]1C=C(C)[CH]2[CH](C)[C]1(CO)CO[CH]2c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1C=C([C@@H]2[C@@H]([C@]1(CO[C@@H]2c3ccc(cc3)O)CO)C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1C=C(C2C(C1(COC2c3ccc(cc3)O)CO)C)C |
InChI | InChI | 1.03 | InChI=1S/C18H24O3/c1-11-8-12(2)18(9-19)10-21-17(16(11)13(18)3)14-4-6-15(20)7-5-14/h4-8,12-13,16-17,19-20H,9-10H2,1-3H3/t12-,13-,16+,17+,18-/m0/s1 |
InChIKey | InChI | 1.03 | DTZWKYVREFMAJA-QXWBOSQLSA-N |