Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)C(C)(C)CC4(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)CC(C)(C)c2cc(ccc12)C3(OCCO3)c4ccc(cc4)C(O)=O |
SMILES | CACTVS | 3.341 | CC1(C)CC(C)(C)c2cc(ccc12)C3(OCCO3)c4ccc(cc4)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C23H26O4/c1-21(2)14-22(3,4)19-13-17(9-10-18(19)21)23(26-11-12-27-23)16-7-5-15(6-8-16)20(24)25/h5-10,13H,11-12,14H2,1-4H3,(H,24,25) |
InChIKey | InChI | 1.03 | ISZBCQLHSNHWLM-UHFFFAOYSA-N |