Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1OC3=C(C(O)=C1C(c2ccccc2)CC)CCCCCC3 |
SMILES_CANONICAL | CACTVS | 3.341 | CC[C@@H](c1ccccc1)C2=C(O)C3=C(CCCCCC3)OC2=O |
SMILES | CACTVS | 3.341 | CC[CH](c1ccccc1)C2=C(O)C3=C(CCCCCC3)OC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O |
InChI | InChI | 1.03 | InChI=1S/C20H24O3/c1-2-15(14-10-6-5-7-11-14)18-19(21)16-12-8-3-4-9-13-17(16)23-20(18)22/h5-7,10-11,15,21H,2-4,8-9,12-13H2,1H3/t15-/m0/s1 |
InChIKey | InChI | 1.03 | UXCLJNSXDNCIIT-HNNXBMFYSA-N |