Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c2ccc1cc(ccc1c2)C(O)c3ccc4c(c3)C(CCC4(C)C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)c3ccc4cc(ccc4c3)C(O)=O |
SMILES | CACTVS | 3.341 | CC1(C)CCC(C)(C)c2cc(ccc12)[CH](O)c3ccc4cc(ccc4c3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(CCC(c2c1ccc(c2)[C@H](c3ccc4cc(ccc4c3)C(=O)O)O)(C)C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CCC(c2c1ccc(c2)C(c3ccc4cc(ccc4c3)C(=O)O)O)(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C26H28O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,23,27H,11-12H2,1-4H3,(H,28,29)/t23-/m0/s1 |
InChIKey | InChI | 1.03 | AYAJZQYENGWICE-QHCPKHFHSA-N |