Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C4C3(CCc1c(ccc2c1ccc(O)c2)C3CC4)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CCC2=O |
SMILES | CACTVS | 3.341 | C[C]12CCc3c(ccc4cc(O)ccc34)[CH]1CCC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC12CCc3c4ccc(cc4ccc3C1CCC2=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1 |
InChIKey | InChI | 1.03 | PDRGHUMCVRDZLQ-WMZOPIPTSA-N |