Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C26H30O4/c1-24(2)11-12-25(3,4)20-15-22-17(14-19(20)24)8-10-26(30-22)9-7-16-13-18(23(27)28)5-6-21(16)29-26/h5-6,13-15H,7-12H2,1-4H3,(H,27,28)/t26-/m0/s1 |
InChIKey | InChI | 1.03 | BWUCHLRCLVDMCC-SANMLTNESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CCC(C)(C)c2cc3O[C@@]4(CCc5cc(ccc5O4)C(O)=O)CCc3cc12 |
SMILES | CACTVS | 3.385 | CC1(C)CCC(C)(C)c2cc3O[C]4(CCc5cc(ccc5O4)C(O)=O)CCc3cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(CCC(c2c1cc3c(c2)O[C@@]4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(CCC(c2c1cc3c(c2)OC4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C |