Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3 |
InChIKey | InChI | 1.03 | LFDYHAWYVIBCDT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCc1cc(ccc1O)\C=C/2OC(=O)C(=C/2O)c3ccc(O)c(CC=C(C)C)c3 |
SMILES | CACTVS | 3.385 | CC(C)=CCc1cc(ccc1O)C=C2OC(=O)C(=C2O)c3ccc(O)c(CC=C(C)C)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)O)C |