Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1=CC2OC3CCC(C2(CC1)C)(C34CO4)C |
InChI | InChI | 1.03 | InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,13+,14-,15+/m1/s1 |
InChIKey | InChI | 1.03 | LZAJKCZTKKKZNT-QMIVOQANSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=C[C@H]2O[C@@H]3CC[C@](C)([C@@]2(C)CC1)[C@]34CO4 |
SMILES | CACTVS | 3.385 | CC1=C[CH]2O[CH]3CC[C](C)([C]2(C)CC1)[C]34CO4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H]([C@@]34CO4)O2)C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC2C(CC1)(C3(CCC(C34CO4)O2)C)C |