Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc2ccc1c3c(ccc1c2)C4CCC(O)(C4(CC3)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@]1(O)CC[C@H]2c3ccc4cc(O)ccc4c3CC[C@]12C |
SMILES | CACTVS | 3.341 | C[C]1(O)CC[CH]2c3ccc4cc(O)ccc4c3CC[C]12C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@]2(C)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC12CCc3c4ccc(cc4ccc3C1CCC2(C)O)O |
InChI | InChI | 1.03 | InChI=1S/C19H22O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h3-6,11,17,20-21H,7-10H2,1-2H3/t17-,18-,19+/m0/s1 |
InChIKey | InChI | 1.03 | FQMQOMRDADWGJJ-GBESFXJTSA-N |