Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc1ccc(cc1)C3OC(C2CC=C(C3C2)C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC1=CC[C@H]2C[C@@H]1[C@@H](OC2(C)C)c3ccc(O)cc3 |
SMILES | CACTVS | 3.341 | CC1=CC[CH]2C[CH]1[CH](OC2(C)C)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CC[C@H]2C[C@@H]1[C@@H](OC2(C)C)c3ccc(cc3)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CCC2CC1C(OC2(C)C)c3ccc(cc3)O |
InChI | InChI | 1.03 | InChI=1S/C17H22O2/c1-11-4-7-13-10-15(11)16(19-17(13,2)3)12-5-8-14(18)9-6-12/h4-6,8-9,13,15-16,18H,7,10H2,1-3H3/t13-,15-,16-/m0/s1 |
InChIKey | InChI | 1.03 | BBZPJHFECDCNGT-BPUTZDHNSA-N |